N-[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide

C17H24N4O2S — CID 50971546

IUPACN-[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCc1n[nH]c(C)c1CCCNC(=O)C(C)(C)NC(=O)c1cccs1
InChIInChI=1S/C17H24N4O2S/c1-11-13(12(2)21-20-11)7-5-9-18-16(23)17(3,4)19-15(22)14-8-6-10-24-14/h6,8,10H,5,7,9H2,1-4H3,(H,18,23)(H,19,22)(H,20,21)
InChIKeyKGBHHALVJBWJIQ-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.35
Rot. Bonds7

About N-[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 50971546) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID50971546
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCc1n[nH]c(C)c1CCCNC(=O)C(C)(C)NC(=O)c1cccs1
InChIInChI=1S/C17H24N4O2S/c1-11-13(12(2)21-20-11)7-5-9-18-16(23)17(3,4)19-15(22)14-8-6-10-24-14/h6,8,10H,5,7,9H2,1-4H3,(H,18,23)(H,19,22)(H,20,21)
InChIKeyKGBHHALVJBWJIQ-UHFFFAOYSA-N
XLogP2.35
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 5345393
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CID 168294671
N-({1-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)carbonyl]piperidin-3-yl}methyl)thiophene-2-sulfonamide
CID 16189501
N-[(4-fluorophenyl)methyl]-5-(4-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 49790776
3-(4-fluoro-2-methylphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 49795849
N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide
CID 156565670
N-butyl-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 44405938
1-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676923
5,5-dioxo-N-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole-3-carboxamide
CID 52103959
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 53498731
(5-propan-2-yl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 56814125
5-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927144

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 50971546) is N-[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide is Cc1n[nH]c(C)c1CCCNC(=O)C(C)(C)NC(=O)c1cccs1.
What is the InChIKey of N-[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is KGBHHALVJBWJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-11-13(12(2)21-20-11)7-5-9-18-16(23)17(3,4)19-15(22)14-8-6-10-24-14/h6,8,10H,5,7,9H2,1-4H3,(H,18,23)(H,19,22)(H,20,21).
What are the key properties of N-[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 50971546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).