N-(4-cyano-1H-pyrazol-5-yl)-2,2-dimethylcyclopropane-1-carboxamide

C10H12N4O — CID 107001533

IUPACN-(4-cyano-1H-pyrazol-5-yl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C10H12N4O/c1-10(2)3-7(10)9(15)13-8-6(4-11)5-12-14-8/h5,7H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyNIKOJRAQXSRQRR-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.27
Rot. Bonds2

About N-(4-cyano-1H-pyrazol-5-yl)-2,2-dimethylcyclopropane-1-carboxamide

N-(4-cyano-1H-pyrazol-5-yl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 107001533) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID107001533
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C10H12N4O/c1-10(2)3-7(10)9(15)13-8-6(4-11)5-12-14-8/h5,7H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyNIKOJRAQXSRQRR-UHFFFAOYSA-N
XLogP1.27
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-2,2-dimethylcyclopropane-1-carboxamide (CID 107001533) is N-(4-cyano-1H-pyrazol-5-yl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)Nc1[nH]ncc1C#N.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is NIKOJRAQXSRQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-10(2)3-7(10)9(15)13-8-6(4-11)5-12-14-8/h5,7H,3H2,1-2H3,(H2,12,13,14,15).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-2,2-dimethylcyclopropane-1-carboxamide?
N-(4-cyano-1H-pyrazol-5-yl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 204.23 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 107001533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).