1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone

C15H18N4O — CID 95845191

IUPAC1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
SMILESCc1cn[nH]c1[C@H]1CCN(C(=O)Cc2cccnc2)C1
InChIInChI=1S/C15H18N4O/c1-11-8-17-18-15(11)13-4-6-19(10-13)14(20)7-12-3-2-5-16-9-12/h2-3,5,8-9,13H,4,6-7,10H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyBGKDOONBEMQTPF-ZDUSSCGKSA-N
MW270.34 g/mol
LogP1.67
Rot. Bonds3

About 1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone

1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 95845191) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID95845191
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
SMILESCc1cn[nH]c1[C@H]1CCN(C(=O)Cc2cccnc2)C1
InChIInChI=1S/C15H18N4O/c1-11-8-17-18-15(11)13-4-6-19(10-13)14(20)7-12-3-2-5-16-9-12/h2-3,5,8-9,13H,4,6-7,10H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyBGKDOONBEMQTPF-ZDUSSCGKSA-N
XLogP1.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 95829700
2-(2-methylimidazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124962838
1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 95844950
3-(2-fluorophenyl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 124984653
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124967892
(E)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 124979520
1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110106276
2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124984897
1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 79879332
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 87053047
3-amino-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 171687293
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 112630744

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone (CID 95845191) is 1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone is Cc1cn[nH]c1[C@H]1CCN(C(=O)Cc2cccnc2)C1.
What is the InChIKey of 1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is BGKDOONBEMQTPF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-8-17-18-15(11)13-4-6-19(10-13)14(20)7-12-3-2-5-16-9-12/h2-3,5,8-9,13H,4,6-7,10H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of 1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone?
1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 270.34 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 95845191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).