4-chloro-1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide

C13H18ClN5O — CID 126451112

IUPAC4-chloro-1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide
SMILESCc1cnn([C@@H](C)CNC(=O)c2c(Cl)c(C)nn2C)c1
InChIInChI=1S/C13H18ClN5O/c1-8-5-16-19(7-8)9(2)6-15-13(20)12-11(14)10(3)17-18(12)4/h5,7,9H,6H2,1-4H3,(H,15,20)/t9-/m0/s1
InChIKeyUCJQTURTBNMRII-VIFPVBQESA-N
MW295.77 g/mol
LogP1.88
Rot. Bonds4

About 4-chloro-1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide

4-chloro-1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide (PubChem CID 126451112) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-chloro-1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide
PubChem CID126451112
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name4-chloro-1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide
SMILESCc1cnn([C@@H](C)CNC(=O)c2c(Cl)c(C)nn2C)c1
InChIInChI=1S/C13H18ClN5O/c1-8-5-16-19(7-8)9(2)6-15-13(20)12-11(14)10(3)17-18(12)4/h5,7,9H,6H2,1-4H3,(H,15,20)/t9-/m0/s1
InChIKeyUCJQTURTBNMRII-VIFPVBQESA-N
XLogP1.88
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide (CID 126451112) is 4-chloro-1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide is Cc1cnn([C@@H](C)CNC(=O)c2c(Cl)c(C)nn2C)c1.
What is the InChIKey of 4-chloro-1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide?
The InChIKey is UCJQTURTBNMRII-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-8-5-16-19(7-8)9(2)6-15-13(20)12-11(14)10(3)17-18(12)4/h5,7,9H,6H2,1-4H3,(H,15,20)/t9-/m0/s1.
What are the key properties of 4-chloro-1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide?
4-chloro-1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide has a molecular weight of 295.77 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide is sourced from PubChem (CID 126451112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).