(4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide

C15H26N4O — CID 126426485

IUPAC(4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide
SMILESC[C@@H](CCC(=O)N(C)Cc1cnn(C)c1)N1CCCC1
InChIInChI=1S/C15H26N4O/c1-13(19-8-4-5-9-19)6-7-15(20)17(2)11-14-10-16-18(3)12-14/h10,12-13H,4-9,11H2,1-3H3/t13-/m0/s1
InChIKeyUXXMKPFOYRGEJQ-ZDUSSCGKSA-N
MW278.40 g/mol
LogP1.64
Rot. Bonds6

About (4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide

(4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide (PubChem CID 126426485) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide.

Molecular Properties

Compound Name(4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide
PubChem CID126426485
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide
SMILESC[C@@H](CCC(=O)N(C)Cc1cnn(C)c1)N1CCCC1
InChIInChI=1S/C15H26N4O/c1-13(19-8-4-5-9-19)6-7-15(20)17(2)11-14-10-16-18(3)12-14/h10,12-13H,4-9,11H2,1-3H3/t13-/m0/s1
InChIKeyUXXMKPFOYRGEJQ-ZDUSSCGKSA-N
XLogP1.64
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide with MolForge

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Related Compounds

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 31843584
(4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide
CID 126446117
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 61442217
(2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 124506995
2-methyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 60952592
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
CID 134037051
2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride
CID 119834029
3-amino-N,2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;dihydrochloride
CID 119834041
3-(furan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 134037132
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
CID 56802643
2-(2-methoxyphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037061

Frequently Asked Questions

What is the IUPAC name of (4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide?
The IUPAC name of (4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide (CID 126426485) is (4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide.
What is the SMILES notation for (4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide?
The canonical SMILES for (4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide is C[C@@H](CCC(=O)N(C)Cc1cnn(C)c1)N1CCCC1.
What is the InChIKey of (4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide?
The InChIKey is UXXMKPFOYRGEJQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4O/c1-13(19-8-4-5-9-19)6-7-15(20)17(2)11-14-10-16-18(3)12-14/h10,12-13H,4-9,11H2,1-3H3/t13-/m0/s1.
What are the key properties of (4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide?
(4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide has a molecular weight of 278.40 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide is sourced from PubChem (CID 126426485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).