1-propan-2-yl-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide

C12H17N5O — CID 164639211

IUPAC1-propan-2-yl-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)N[C@@H](C)c2cn[nH]c2)n1
InChIInChI=1S/C12H17N5O/c1-8(2)17-5-4-11(16-17)12(18)15-9(3)10-6-13-14-7-10/h4-9H,1-3H3,(H,13,14)(H,15,18)/t9-/m0/s1
InChIKeyQHPDBVSHOUJULP-VIFPVBQESA-N
MW247.30 g/mol
LogP1.68
Rot. Bonds4

About 1-propan-2-yl-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide

1-propan-2-yl-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 164639211) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-propan-2-yl-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide
PubChem CID164639211
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-propan-2-yl-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)N[C@@H](C)c2cn[nH]c2)n1
InChIInChI=1S/C12H17N5O/c1-8(2)17-5-4-11(16-17)12(18)15-9(3)10-6-13-14-7-10/h4-9H,1-3H3,(H,13,14)(H,15,18)/t9-/m0/s1
InChIKeyQHPDBVSHOUJULP-VIFPVBQESA-N
XLogP1.68
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
N'-[1-(1,3-dimethyl-1H-pyrazol-4-yl)ethylidene]-1H-pyrazole-3-carbohydrazide
CID 7340169
N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
US10022354, Example 165
CID 121279436
US10022354, Example 112
CID 132070192
US10022354, Example 196
CID 132070252
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
N-(2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4771532
US10022354, Example 162
CID 132070202
N~3~-isobutyl-1H-pyrazole-3-carboxamide
CID 53017403
N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19398373

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-propan-2-yl-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide (CID 164639211) is 1-propan-2-yl-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide is CC(C)n1ccc(C(=O)N[C@@H](C)c2cn[nH]c2)n1.
What is the InChIKey of 1-propan-2-yl-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is QHPDBVSHOUJULP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N5O/c1-8(2)17-5-4-11(16-17)12(18)15-9(3)10-6-13-14-7-10/h4-9H,1-3H3,(H,13,14)(H,15,18)/t9-/m0/s1.
What are the key properties of 1-propan-2-yl-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide?
1-propan-2-yl-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 164639211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).