(2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide

C18H33N5O — CID 95140170

IUPAC(2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
SMILESCC(C)c1nn(C)c(N(C)C)c1CN[C@@H](C)C(=O)NC1CCCC1
InChIInChI=1S/C18H33N5O/c1-12(2)16-15(18(22(4)5)23(6)21-16)11-19-13(3)17(24)20-14-9-7-8-10-14/h12-14,19H,7-11H2,1-6H3,(H,20,24)/t13-/m0/s1
InChIKeyPFISOJGQCNWQJT-ZDUSSCGKSA-N
MW335.50 g/mol
LogP2.15
Rot. Bonds7

About (2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide

(2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide (PubChem CID 95140170) has the molecular formula C18H33N5O and a molecular weight of 335.50 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
PubChem CID95140170
Molecular FormulaC18H33N5O
Molecular Weight335.50 g/mol
Exact Mass335.27
IUPAC Name(2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
SMILESCC(C)c1nn(C)c(N(C)C)c1CN[C@@H](C)C(=O)NC1CCCC1
InChIInChI=1S/C18H33N5O/c1-12(2)16-15(18(22(4)5)23(6)21-16)11-19-13(3)17(24)20-14-9-7-8-10-14/h12-14,19H,7-11H2,1-6H3,(H,20,24)/t13-/m0/s1
InChIKeyPFISOJGQCNWQJT-ZDUSSCGKSA-N
XLogP2.15
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide with MolForge

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Related Compounds

(2R)-N-cyclopentyl-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 95138761
N-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 51105240
(2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-methylbutanamide
CID 94825150
(3R)-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]azepan-2-one
CID 94822004
N,N,1-trimethyl-4-[[[(2S)-1-methylpyrrolidin-2-yl]methylamino]methyl]-3-propan-2-ylpyrazol-5-amine
CID 95139724
N-cyclopentyl-2-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propanamide
CID 50956481
N-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]propanamide
CID 107042658
(2R)-1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 95139447
N-cyclopentyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43083735
N,N,1-trimethyl-3-propan-2-yl-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]pyrazol-5-amine
CID 94823190
(5R)-5-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 95294039
N,N,1,3-tetramethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281251

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide (CID 95140170) is (2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide is CC(C)c1nn(C)c(N(C)C)c1CN[C@@H](C)C(=O)NC1CCCC1.
What is the InChIKey of (2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide?
The InChIKey is PFISOJGQCNWQJT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H33N5O/c1-12(2)16-15(18(22(4)5)23(6)21-16)11-19-13(3)17(24)20-14-9-7-8-10-14/h12-14,19H,7-11H2,1-6H3,(H,20,24)/t13-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide?
(2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide has a molecular weight of 335.50 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide is sourced from PubChem (CID 95140170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).