1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide

C13H22N4O — CID 110253470

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1(C)CCCN1Cc1cnn(C)c1C
InChIInChI=1S/C13H22N4O/c1-10-11(8-15-16(10)4)9-17-7-5-6-13(17,2)12(18)14-3/h8H,5-7,9H2,1-4H3,(H,14,18)
InChIKeySYZPDNRVDZDNHP-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.83
Rot. Bonds3

About 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide

1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide (PubChem CID 110253470) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide
PubChem CID110253470
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1(C)CCCN1Cc1cnn(C)c1C
InChIInChI=1S/C13H22N4O/c1-10-11(8-15-16(10)4)9-17-7-5-6-13(17,2)12(18)14-3/h8H,5-7,9H2,1-4H3,(H,14,18)
InChIKeySYZPDNRVDZDNHP-UHFFFAOYSA-N
XLogP0.83
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 92595276
1-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 114140497
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide
CID 126816544
N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 99589276
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide
CID 79578533
2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 65071221
(2R)-1-acetyl-N,2-dimethylpyrrolidine-2-carboxamide
CID 131850595
methyl (2S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylate
CID 97066427
1-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 106035310
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-methylidenecyclobutane-1-carboxamide
CID 126840448
1-[(3-bromo-4-pyridinyl)methyl]-2-methylpyrrolidine-2-carboxylic acid
CID 136555618
N-[[1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-hydroxyazepan-4-yl]methyl]cyclopropanesulfonamide
CID 56897560

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide (CID 110253470) is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide is CNC(=O)C1(C)CCCN1Cc1cnn(C)c1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide?
The InChIKey is SYZPDNRVDZDNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-11(8-15-16(10)4)9-17-7-5-6-13(17,2)12(18)14-3/h8H,5-7,9H2,1-4H3,(H,14,18).
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide?
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110253470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).