N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-2,5-dimethyl-3,4-dihydropyrazole-4-carboxamide

C18H23N3O — CID 163504078

IUPACN-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-2,5-dimethyl-3,4-dihydropyrazole-4-carboxamide
SMILESCC1=NN(C)CC1C(=O)Nc1ccccc1[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C18H23N3O/c1-11-16(10-21(2)20-11)18(22)19-17-6-4-3-5-13(17)15-9-14(15)12-7-8-12/h3-6,12,14-16H,7-10H2,1-2H3,(H,19,22)/t14-,15-,16?/m0/s1
InChIKeyCXCUXVKNXQQIRZ-KSCSMHSMSA-N
MW297.40 g/mol
LogP3.08
Rot. Bonds4

About N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-2,5-dimethyl-3,4-dihydropyrazole-4-carboxamide

N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-2,5-dimethyl-3,4-dihydropyrazole-4-carboxamide (PubChem CID 163504078) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-2,5-dimethyl-3,4-dihydropyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-2,5-dimethyl-3,4-dihydropyrazole-4-carboxamide
PubChem CID163504078
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-2,5-dimethyl-3,4-dihydropyrazole-4-carboxamide
SMILESCC1=NN(C)CC1C(=O)Nc1ccccc1[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C18H23N3O/c1-11-16(10-21(2)20-11)18(22)19-17-6-4-3-5-13(17)15-9-14(15)12-7-8-12/h3-6,12,14-16H,7-10H2,1-2H3,(H,19,22)/t14-,15-,16?/m0/s1
InChIKeyCXCUXVKNXQQIRZ-KSCSMHSMSA-N
XLogP3.08
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-2,5-dimethyl-3,4-dihydropyrazole-4-carboxamide?
The IUPAC name of N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-2,5-dimethyl-3,4-dihydropyrazole-4-carboxamide (CID 163504078) is N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-2,5-dimethyl-3,4-dihydropyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-2,5-dimethyl-3,4-dihydropyrazole-4-carboxamide?
The canonical SMILES for N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-2,5-dimethyl-3,4-dihydropyrazole-4-carboxamide is CC1=NN(C)CC1C(=O)Nc1ccccc1[C@@H]1C[C@H]1C1CC1.
What is the InChIKey of N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-2,5-dimethyl-3,4-dihydropyrazole-4-carboxamide?
The InChIKey is CXCUXVKNXQQIRZ-KSCSMHSMSA-N. The full InChI is InChI=1S/C18H23N3O/c1-11-16(10-21(2)20-11)18(22)19-17-6-4-3-5-13(17)15-9-14(15)12-7-8-12/h3-6,12,14-16H,7-10H2,1-2H3,(H,19,22)/t14-,15-,16?/m0/s1.
What are the key properties of N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-2,5-dimethyl-3,4-dihydropyrazole-4-carboxamide?
N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-2,5-dimethyl-3,4-dihydropyrazole-4-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-2,5-dimethyl-3,4-dihydropyrazole-4-carboxamide is sourced from PubChem (CID 163504078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).