N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide

C20H21N5O2S — CID 1350909

IUPACN-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide
SMILESCN1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccs2)CC1
InChIInChI=1S/C20H21N5O2S/c1-23-9-11-24(12-10-23)20(27)16-14-21-25(15-6-3-2-4-7-15)18(16)22-19(26)17-8-5-13-28-17/h2-8,13-14H,9-12H2,1H3,(H,22,26)
InChIKeyAVCYPCIFSYGJLT-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.57
Rot. Bonds4

About N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide

N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide (PubChem CID 1350909) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide
PubChem CID1350909
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC NameN-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide
SMILESCN1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccs2)CC1
InChIInChI=1S/C20H21N5O2S/c1-23-9-11-24(12-10-23)20(27)16-14-21-25(15-6-3-2-4-7-15)18(16)22-19(26)17-8-5-13-28-17/h2-8,13-14H,9-12H2,1H3,(H,22,26)
InChIKeyAVCYPCIFSYGJLT-UHFFFAOYSA-N
XLogP2.57
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide;hydrochloride
CID 146120934
2-chloro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide
CID 1067719
5-benzamido-1-phenylpyrazole-4-carboxylic acid
CID 16638016
N-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 56518765
N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-methylbenzamide
CID 56696883
N,N-diethyl-5-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746120
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide
CID 113028800
N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 4948035
N-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethoxy]thiophene-2-carboxamide
CID 143381682
4-chloro-2-phenyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridazin-3-one
CID 2958911
N-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 78804920

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide (CID 1350909) is N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide is CN1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccs2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide?
The InChIKey is AVCYPCIFSYGJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-23-9-11-24(12-10-23)20(27)16-14-21-25(15-6-3-2-4-7-15)18(16)22-19(26)17-8-5-13-28-17/h2-8,13-14H,9-12H2,1H3,(H,22,26).
What are the key properties of N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide?
N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 1350909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).