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

C12H17N5O — CID 146084407

IUPAC2-propan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccnn1C(C)C)c1cn[nH]c1
InChIInChI=1S/C12H17N5O/c1-8(2)17-11(4-5-15-17)12(18)16-9(3)10-6-13-14-7-10/h4-9H,1-3H3,(H,13,14)(H,16,18)
InChIKeyGUQZPHAFOHPJPU-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.68
Rot. Bonds4

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

2-propan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 146084407) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-propan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-propan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide
PubChem CID146084407
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-propan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccnn1C(C)C)c1cn[nH]c1
InChIInChI=1S/C12H17N5O/c1-8(2)17-11(4-5-15-17)12(18)16-9(3)10-6-13-14-7-10/h4-9H,1-3H3,(H,13,14)(H,16,18)
InChIKeyGUQZPHAFOHPJPU-UHFFFAOYSA-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

N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide
CID 103855985
2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106218102
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide
CID 103855919
1,3-diethyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-5-carboxamide
CID 106217679
3,6-dimethyl-2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]benzoic acid
CID 106208660
2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856631
3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114159645
1-methyl-4-(methylsulfamoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrole-2-carboxamide
CID 103855918
5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 113339663
2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856738
N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-b]thiophene-5-carboxamide
CID 103856618

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 2-propan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide (CID 146084407) is 2-propan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-propan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-propan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide is CC(NC(=O)c1ccnn1C(C)C)c1cn[nH]c1.
What is the InChIKey of 2-propan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is GUQZPHAFOHPJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8(2)17-11(4-5-15-17)12(18)16-9(3)10-6-13-14-7-10/h4-9H,1-3H3,(H,13,14)(H,16,18).
What are the key properties of 2-propan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide?
2-propan-2-yl-N-[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 2-propan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 146084407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).