(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(1-propylpyrazole-3-carbonyl)pyrrolidine-3-carboxamide

C27H32N4O2 — CID 92590805

IUPAC(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(1-propylpyrazole-3-carbonyl)pyrrolidine-3-carboxamide
SMILESCCCn1ccc(C(=O)N2CC[C@](Cc3cccc(-c4ccccc4)c3)(C(=O)N(C)C)C2)n1
InChIInChI=1S/C27H32N4O2/c1-4-15-31-16-13-24(28-31)25(32)30-17-14-27(20-30,26(33)29(2)3)19-21-9-8-12-23(18-21)22-10-6-5-7-11-22/h5-13,16,18H,4,14-15,17,19-20H2,1-3H3/t27-/m1/s1
InChIKeyLFJNQHWRKFSNQI-HHHXNRCGSA-N
MW444.58 g/mol
LogP4.12
Rot. Bonds7

About (3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(1-propylpyrazole-3-carbonyl)pyrrolidine-3-carboxamide

(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(1-propylpyrazole-3-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 92590805) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(1-propylpyrazole-3-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(1-propylpyrazole-3-carbonyl)pyrrolidine-3-carboxamide
PubChem CID92590805
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(1-propylpyrazole-3-carbonyl)pyrrolidine-3-carboxamide
SMILESCCCn1ccc(C(=O)N2CC[C@](Cc3cccc(-c4ccccc4)c3)(C(=O)N(C)C)C2)n1
InChIInChI=1S/C27H32N4O2/c1-4-15-31-16-13-24(28-31)25(32)30-17-14-27(20-30,26(33)29(2)3)19-21-9-8-12-23(18-21)22-10-6-5-7-11-22/h5-13,16,18H,4,14-15,17,19-20H2,1-3H3/t27-/m1/s1
InChIKeyLFJNQHWRKFSNQI-HHHXNRCGSA-N
XLogP4.12
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92605455
N-ethyl-1-(1-ethylpyrazole-3-carbonyl)-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110243404
N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide
CID 110243400
(3R)-N,N-diethyl-1-(1-methylpyrazole-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92590867
1-butanoyl-N,N-dimethyl-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229625
(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 92605591
N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229774
1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110084041
N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide
CID 110243390
N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 110229677
(3R)-1-(2-methoxyacetyl)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide
CID 95851011
(3S)-N,N-dimethyl-1-(2-phenylacetyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92604924

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(1-propylpyrazole-3-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(1-propylpyrazole-3-carbonyl)pyrrolidine-3-carboxamide (CID 92590805) is (3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(1-propylpyrazole-3-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(1-propylpyrazole-3-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(1-propylpyrazole-3-carbonyl)pyrrolidine-3-carboxamide is CCCn1ccc(C(=O)N2CC[C@](Cc3cccc(-c4ccccc4)c3)(C(=O)N(C)C)C2)n1.
What is the InChIKey of (3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(1-propylpyrazole-3-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is LFJNQHWRKFSNQI-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-4-15-31-16-13-24(28-31)25(32)30-17-14-27(20-30,26(33)29(2)3)19-21-9-8-12-23(18-21)22-10-6-5-7-11-22/h5-13,16,18H,4,14-15,17,19-20H2,1-3H3/t27-/m1/s1.
What are the key properties of (3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(1-propylpyrazole-3-carbonyl)pyrrolidine-3-carboxamide?
(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(1-propylpyrazole-3-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(1-propylpyrazole-3-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 92590805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).