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

C11H18N4O — CID 106047444

IUPAC(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1c(CNC(=O)[C@@H]2CCCN2)cnn1C
InChIInChI=1S/C11H18N4O/c1-8-9(7-14-15(8)2)6-13-11(16)10-4-3-5-12-10/h7,10,12H,3-6H2,1-2H3,(H,13,16)/t10-/m0/s1
InChIKeyILUDGROHFNWLAX-JTQLQIEISA-N
MW222.29 g/mol
LogP0.10
Rot. Bonds3

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

(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 106047444) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID106047444
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1c(CNC(=O)[C@@H]2CCCN2)cnn1C
InChIInChI=1S/C11H18N4O/c1-8-9(7-14-15(8)2)6-13-11(16)10-4-3-5-12-10/h7,10,12H,3-6H2,1-2H3,(H,13,16)/t10-/m0/s1
InChIKeyILUDGROHFNWLAX-JTQLQIEISA-N
XLogP0.10
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylpiperidine-2-carboxamide
CID 106047227
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 106047326
(2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 93431387
(2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119304111
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 104931831
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 79236153
(2S)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119725181
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide
CID 106047419
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106047340
(2S,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carboxamide
CID 126815726
3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 19620296
(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 61164033

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide (CID 106047444) is (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide is Cc1c(CNC(=O)[C@@H]2CCCN2)cnn1C.
What is the InChIKey of (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is ILUDGROHFNWLAX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-9(7-14-15(8)2)6-13-11(16)10-4-3-5-12-10/h7,10,12H,3-6H2,1-2H3,(H,13,16)/t10-/m0/s1.
What are the key properties of (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 106047444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).