2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide

C19H33N5O — CID 75443028

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCCN1CCC(CNC(=O)N2CCCC2c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C19H33N5O/c1-4-9-23-11-7-16(8-12-23)13-20-19(25)24-10-5-6-17(24)18-14(2)21-22-15(18)3/h16-17H,4-13H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyZSKLLNONXQUMFX-UHFFFAOYSA-N
MW347.51 g/mol
LogP3.00
Rot. Bonds5

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 75443028) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID75443028
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCCN1CCC(CNC(=O)N2CCCC2c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C19H33N5O/c1-4-9-23-11-7-16(8-12-23)13-20-19(25)24-10-5-6-17(24)18-14(2)21-22-15(18)3/h16-17H,4-13H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyZSKLLNONXQUMFX-UHFFFAOYSA-N
XLogP3.00
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 53544708
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 56707907
N-[(1-cyclopentylpiperidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 56714649
N-[(1-cyclopentylpiperidin-3-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 56714725
N-tert-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
CID 75397420
N-(2-tert-butylsulfanylethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
CID 75442504
N-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 84595015
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
CID 84595622
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide
CID 84595699
5-({1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methyl)-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56758245
1-({1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-piperidinyl}methyl)-2-pyrrolidinone
CID 70767195
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-(trifluoromethyl)cyclohexyl]urea
CID 71932031

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide (CID 75443028) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide is CCCN1CCC(CNC(=O)N2CCCC2c2c(C)n[nH]c2C)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is ZSKLLNONXQUMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-4-9-23-11-7-16(8-12-23)13-20-19(25)24-10-5-6-17(24)18-14(2)21-22-15(18)3/h16-17H,4-13H2,1-3H3,(H,20,25)(H,21,22).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 347.51 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 75443028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).