N,1-dimethyl-3-(2-methylpropyl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazole-5-carboxamide

C18H32N4O — CID 97113319

IUPACN,1-dimethyl-3-(2-methylpropyl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(C)CC[C@H](C)N2CCCC2)n(C)n1
InChIInChI=1S/C18H32N4O/c1-14(2)12-16-13-17(21(5)19-16)18(23)20(4)11-8-15(3)22-9-6-7-10-22/h13-15H,6-12H2,1-5H3/t15-/m0/s1
InChIKeyPMYIHUOVZKQLDH-HNNXBMFYSA-N
MW320.48 g/mol
LogP2.57
Rot. Bonds7

About N,1-dimethyl-3-(2-methylpropyl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazole-5-carboxamide

N,1-dimethyl-3-(2-methylpropyl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazole-5-carboxamide (PubChem CID 97113319) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is N,1-dimethyl-3-(2-methylpropyl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-3-(2-methylpropyl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazole-5-carboxamide
PubChem CID97113319
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC NameN,1-dimethyl-3-(2-methylpropyl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(C)CC[C@H](C)N2CCCC2)n(C)n1
InChIInChI=1S/C18H32N4O/c1-14(2)12-16-13-17(21(5)19-16)18(23)20(4)11-8-15(3)22-9-6-7-10-22/h13-15H,6-12H2,1-5H3/t15-/m0/s1
InChIKeyPMYIHUOVZKQLDH-HNNXBMFYSA-N
XLogP2.57
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide
CID 113499792
1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70776595
N,1-dimethyl-3-(2-methylpropyl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-5-carboxamide
CID 96579908
N-(2-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66120573
[(3S,4R)-3-amino-4-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 133138619
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70752326
[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 70721848
N-cyclopropyl-1-methyl-3-(2-methylpropyl)-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide
CID 131919121
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70762626
N-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 95119417
[(4aS,9aS)-4a,5-dimethyl-2,3,4,6,7,8,9,9a-octahydropyrido[3,2-b]azepin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 110141051
1-methyl-3-(2-methylpropyl)-N-[4-[(2S)-oxolan-2-yl]butyl]pyrazole-5-carboxamide
CID 96580843

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-3-(2-methylpropyl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazole-5-carboxamide?
The IUPAC name of N,1-dimethyl-3-(2-methylpropyl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazole-5-carboxamide (CID 97113319) is N,1-dimethyl-3-(2-methylpropyl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazole-5-carboxamide.
What is the SMILES notation for N,1-dimethyl-3-(2-methylpropyl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazole-5-carboxamide?
The canonical SMILES for N,1-dimethyl-3-(2-methylpropyl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazole-5-carboxamide is CC(C)Cc1cc(C(=O)N(C)CC[C@H](C)N2CCCC2)n(C)n1.
What is the InChIKey of N,1-dimethyl-3-(2-methylpropyl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazole-5-carboxamide?
The InChIKey is PMYIHUOVZKQLDH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-14(2)12-16-13-17(21(5)19-16)18(23)20(4)11-8-15(3)22-9-6-7-10-22/h13-15H,6-12H2,1-5H3/t15-/m0/s1.
What are the key properties of N,1-dimethyl-3-(2-methylpropyl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazole-5-carboxamide?
N,1-dimethyl-3-(2-methylpropyl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazole-5-carboxamide has a molecular weight of 320.48 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3-(2-methylpropyl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazole-5-carboxamide is sourced from PubChem (CID 97113319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).