(3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

C14H18N6O — CID 95607677

IUPAC(3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cnn(C[C@@H]2CCCN2C(=O)c2nccnc2N)c1
InChIInChI=1S/C14H18N6O/c1-10-7-18-19(8-10)9-11-3-2-6-20(11)14(21)12-13(15)17-5-4-16-12/h4-5,7-8,11H,2-3,6,9H2,1H3,(H2,15,17)/t11-/m0/s1
InChIKeyJXQFSBYOYNTMBH-NSHDSACASA-N
MW286.34 g/mol
LogP0.87
Rot. Bonds3

About (3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

(3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 95607677) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is (3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID95607677
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name(3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cnn(C[C@@H]2CCCN2C(=O)c2nccnc2N)c1
InChIInChI=1S/C14H18N6O/c1-10-7-18-19(8-10)9-11-3-2-6-20(11)14(21)12-13(15)17-5-4-16-12/h4-5,7-8,11H,2-3,6,9H2,1H3,(H2,15,17)/t11-/m0/s1
InChIKeyJXQFSBYOYNTMBH-NSHDSACASA-N
XLogP0.87
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 56780200
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95350732
[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56779403
[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56779357
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95604019
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95352842
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95603369
(6-ethoxy-3-pyridinyl)-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605710
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95352253
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanone
CID 129448791
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 95605676
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 95605583

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 95607677) is (3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is Cc1cnn(C[C@@H]2CCCN2C(=O)c2nccnc2N)c1.
What is the InChIKey of (3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is JXQFSBYOYNTMBH-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N6O/c1-10-7-18-19(8-10)9-11-3-2-6-20(11)14(21)12-13(15)17-5-4-16-12/h4-5,7-8,11H,2-3,6,9H2,1H3,(H2,15,17)/t11-/m0/s1.
What are the key properties of (3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
(3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 286.34 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95607677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).