1-ethyl-N-methyl-3-(2-methylpropyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-5-carboxamide

C22H32N4O — CID 96574954

IUPAC1-ethyl-N-methyl-3-(2-methylpropyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)N(C)C[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C22H32N4O/c1-5-26-21(14-19(23-26)13-17(2)3)22(27)24(4)15-18-11-12-25(16-18)20-9-7-6-8-10-20/h6-10,14,17-18H,5,11-13,15-16H2,1-4H3/t18-/m1/s1
InChIKeyWBQCJMFGJNUOOH-GOSISDBHSA-N
MW368.53 g/mol
LogP3.70
Rot. Bonds7

About 1-ethyl-N-methyl-3-(2-methylpropyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-5-carboxamide

1-ethyl-N-methyl-3-(2-methylpropyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-5-carboxamide (PubChem CID 96574954) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 1-ethyl-N-methyl-3-(2-methylpropyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-3-(2-methylpropyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-5-carboxamide
PubChem CID96574954
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name1-ethyl-N-methyl-3-(2-methylpropyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)N(C)C[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C22H32N4O/c1-5-26-21(14-19(23-26)13-17(2)3)22(27)24(4)15-18-11-12-25(16-18)20-9-7-6-8-10-20/h6-10,14,17-18H,5,11-13,15-16H2,1-4H3/t18-/m1/s1
InChIKeyWBQCJMFGJNUOOH-GOSISDBHSA-N
XLogP3.70
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-3-(2-methylpropyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-methyl-3-(2-methylpropyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-5-carboxamide (CID 96574954) is 1-ethyl-N-methyl-3-(2-methylpropyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-methyl-3-(2-methylpropyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-methyl-3-(2-methylpropyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-5-carboxamide is CCn1nc(CC(C)C)cc1C(=O)N(C)C[C@H]1CCN(c2ccccc2)C1.
What is the InChIKey of 1-ethyl-N-methyl-3-(2-methylpropyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-5-carboxamide?
The InChIKey is WBQCJMFGJNUOOH-GOSISDBHSA-N. The full InChI is InChI=1S/C22H32N4O/c1-5-26-21(14-19(23-26)13-17(2)3)22(27)24(4)15-18-11-12-25(16-18)20-9-7-6-8-10-20/h6-10,14,17-18H,5,11-13,15-16H2,1-4H3/t18-/m1/s1.
What are the key properties of 1-ethyl-N-methyl-3-(2-methylpropyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-5-carboxamide?
1-ethyl-N-methyl-3-(2-methylpropyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-5-carboxamide has a molecular weight of 368.53 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-3-(2-methylpropyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 96574954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).