N-propan-2-yl-1H-pyrazole-5-carboxamide

C7H11N3O — CID 53017380

IUPACN-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1ccn[nH]1
InChIInChI=1S/C7H11N3O/c1-5(2)9-7(11)6-3-4-8-10-6/h3-5H,1-2H3,(H,8,10)(H,9,11)
InChIKeyKIDXTSGRYSIIRY-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.55
Rot. Bonds2

About N-propan-2-yl-1H-pyrazole-5-carboxamide

N-propan-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 53017380) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is N-propan-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1H-pyrazole-5-carboxamide
PubChem CID53017380
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC NameN-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1ccn[nH]1
InChIInChI=1S/C7H11N3O/c1-5(2)9-7(11)6-3-4-8-10-6/h3-5H,1-2H3,(H,8,10)(H,9,11)
InChIKeyKIDXTSGRYSIIRY-UHFFFAOYSA-N
XLogP0.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-propan-2-yl-1H-pyrazole-5-carboxamide (CID 53017380) is N-propan-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-propan-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-propan-2-yl-1H-pyrazole-5-carboxamide is CC(C)NC(=O)c1ccn[nH]1.
What is the InChIKey of N-propan-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is KIDXTSGRYSIIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5(2)9-7(11)6-3-4-8-10-6/h3-5H,1-2H3,(H,8,10)(H,9,11).
What are the key properties of N-propan-2-yl-1H-pyrazole-5-carboxamide?
N-propan-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 153.19 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 53017380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).