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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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).