N-[1-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide

C15H22N6O — CID 129328085

IUPACN-[1-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn([C@@H]2CCN(Cc3cnn(C)c3C)C2)n1
InChIInChI=1S/C15H22N6O/c1-11-13(8-16-19(11)3)9-20-6-4-14(10-20)21-7-5-15(18-21)17-12(2)22/h5,7-8,14H,4,6,9-10H2,1-3H3,(H,17,18,22)/t14-/m1/s1
InChIKeyASSZVQGEQCHRGN-CQSZACIVSA-N
MW302.38 g/mol
LogP1.33
Rot. Bonds4

About N-[1-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide

N-[1-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide (PubChem CID 129328085) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[1-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
PubChem CID129328085
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-[1-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn([C@@H]2CCN(Cc3cnn(C)c3C)C2)n1
InChIInChI=1S/C15H22N6O/c1-11-13(8-16-19(11)3)9-20-6-4-14(10-20)21-7-5-15(18-21)17-12(2)22/h5,7-8,14H,4,6,9-10H2,1-3H3,(H,17,18,22)/t14-/m1/s1
InChIKeyASSZVQGEQCHRGN-CQSZACIVSA-N
XLogP1.33
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129338235
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CID 129003877
N-[1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
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N-[1-[(3R)-1-[2-(diethylamino)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129341818
N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 99589276
N-[1-[(3R)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129334130
N-[1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
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N-[1-[1-(2-benzyl-3-phenylpropyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 119038675
N-[1-[(3R)-1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129325497
N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129004093
1-acetyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1,4-diazepane-6-carboxamide
CID 110098500
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethylpiperidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide (CID 129328085) is N-[1-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn([C@@H]2CCN(Cc3cnn(C)c3C)C2)n1.
What is the InChIKey of N-[1-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The InChIKey is ASSZVQGEQCHRGN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N6O/c1-11-13(8-16-19(11)3)9-20-6-4-14(10-20)21-7-5-15(18-21)17-12(2)22/h5,7-8,14H,4,6,9-10H2,1-3H3,(H,17,18,22)/t14-/m1/s1.
What are the key properties of N-[1-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
N-[1-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 129328085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).