N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]thiophene-2-carboxamide

C25H31N5OS — CID 42876647

IUPACN-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]thiophene-2-carboxamide
SMILESCCN1CCN(c2c(CN(C(=O)c3cccs3)C3CC3)c(C)nn2-c2ccccc2)CC1
InChIInChI=1S/C25H31N5OS/c1-3-27-13-15-28(16-14-27)24-22(19(2)26-30(24)21-8-5-4-6-9-21)18-29(20-11-12-20)25(31)23-10-7-17-32-23/h4-10,17,20H,3,11-16,18H2,1-2H3
InChIKeyOFOAJPJFNYFLEA-UHFFFAOYSA-N
MW449.62 g/mol
LogP4.19
Rot. Bonds7

About N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]thiophene-2-carboxamide

N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 42876647) has the molecular formula C25H31N5OS and a molecular weight of 449.62 g/mol. Its IUPAC name is N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]thiophene-2-carboxamide
PubChem CID42876647
Molecular FormulaC25H31N5OS
Molecular Weight449.62 g/mol
Exact Mass449.22
IUPAC NameN-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]thiophene-2-carboxamide
SMILESCCN1CCN(c2c(CN(C(=O)c3cccs3)C3CC3)c(C)nn2-c2ccccc2)CC1
InChIInChI=1S/C25H31N5OS/c1-3-27-13-15-28(16-14-27)24-22(19(2)26-30(24)21-8-5-4-6-9-21)18-29(20-11-12-20)25(31)23-10-7-17-32-23/h4-10,17,20H,3,11-16,18H2,1-2H3
InChIKeyOFOAJPJFNYFLEA-UHFFFAOYSA-N
XLogP4.19
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]furan-2-carboxamide
CID 42876648
N-[(2S)-butan-2-yl]-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-methylbutanamide
CID 93009234
3-tert-butyl-1-cyclopropyl-1-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]urea
CID 46080806
N-butan-2-yl-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]butanamide
CID 46080531
2-bromo-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylbenzamide
CID 42876059
N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-pentyl-N-propylbenzamide
CID 46078009
2-chloro-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(3-methylbutyl)acetamide
CID 46079437
N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]propan-2-amine
CID 24716253
N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(3-methylbutyl)-2-phenylacetamide
CID 46079425
N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylsulfanylacetamide
CID 46078057
N-[(2S)-butan-2-yl]-2,4-dichloro-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 93009186
N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)heptanamide
CID 46078054

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]thiophene-2-carboxamide (CID 42876647) is N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]thiophene-2-carboxamide is CCN1CCN(c2c(CN(C(=O)c3cccs3)C3CC3)c(C)nn2-c2ccccc2)CC1.
What is the InChIKey of N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is OFOAJPJFNYFLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5OS/c1-3-27-13-15-28(16-14-27)24-22(19(2)26-30(24)21-8-5-4-6-9-21)18-29(20-11-12-20)25(31)23-10-7-17-32-23/h4-10,17,20H,3,11-16,18H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]thiophene-2-carboxamide?
N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 449.62 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 42876647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).