N-(cyclopropylmethyl)-1H-pyrazole-4-carboxamide

C8H11N3O — CID 43582361

IUPACN-(cyclopropylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CC1)c1cn[nH]c1
InChIInChI=1S/C8H11N3O/c12-8(7-4-10-11-5-7)9-3-6-1-2-6/h4-6H,1-3H2,(H,9,12)(H,10,11)
InChIKeyQRQQDTCVRRXLTJ-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.55
Rot. Bonds3

About N-(cyclopropylmethyl)-1H-pyrazole-4-carboxamide

N-(cyclopropylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 43582361) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID43582361
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC NameN-(cyclopropylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CC1)c1cn[nH]c1
InChIInChI=1S/C8H11N3O/c12-8(7-4-10-11-5-7)9-3-6-1-2-6/h4-6H,1-3H2,(H,9,12)(H,10,11)
InChIKeyQRQQDTCVRRXLTJ-UHFFFAOYSA-N
XLogP0.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
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-(cyclopropylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1H-pyrazole-4-carboxamide (CID 43582361) is N-(cyclopropylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1H-pyrazole-4-carboxamide is O=C(NCC1CC1)c1cn[nH]c1.
What is the InChIKey of N-(cyclopropylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is QRQQDTCVRRXLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c12-8(7-4-10-11-5-7)9-3-6-1-2-6/h4-6H,1-3H2,(H,9,12)(H,10,11).
What are the key properties of N-(cyclopropylmethyl)-1H-pyrazole-4-carboxamide?
N-(cyclopropylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 165.20 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).