(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide

C15H22N6O — CID 129337211

IUPAC(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide
SMILESCc1cc(C)n([C@@H](C)C(=O)Nc2ccn([C@@H]3CCNC3)n2)n1
InChIInChI=1S/C15H22N6O/c1-10-8-11(2)21(18-10)12(3)15(22)17-14-5-7-20(19-14)13-4-6-16-9-13/h5,7-8,12-13,16H,4,6,9H2,1-3H3,(H,17,19,22)/t12-,13+/m0/s1
InChIKeyRZQKTUZZCPKAEP-QWHCGFSZSA-N
MW302.38 g/mol
LogP1.43
Rot. Bonds4

About (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide

(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide (PubChem CID 129337211) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide
PubChem CID129337211
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide
SMILESCc1cc(C)n([C@@H](C)C(=O)Nc2ccn([C@@H]3CCNC3)n2)n1
InChIInChI=1S/C15H22N6O/c1-10-8-11(2)21(18-10)12(3)15(22)17-14-5-7-20(19-14)13-4-6-16-9-13/h5,7-8,12-13,16H,4,6,9H2,1-3H3,(H,17,19,22)/t12-,13+/m0/s1
InChIKeyRZQKTUZZCPKAEP-QWHCGFSZSA-N
XLogP1.43
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide?
The IUPAC name of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide (CID 129337211) is (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide?
The canonical SMILES for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide is Cc1cc(C)n([C@@H](C)C(=O)Nc2ccn([C@@H]3CCNC3)n2)n1.
What is the InChIKey of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide?
The InChIKey is RZQKTUZZCPKAEP-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H22N6O/c1-10-8-11(2)21(18-10)12(3)15(22)17-14-5-7-20(19-14)13-4-6-16-9-13/h5,7-8,12-13,16H,4,6,9H2,1-3H3,(H,17,19,22)/t12-,13+/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide?
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide has a molecular weight of 302.38 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 129337211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).