N-cyclopropyl-5-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1H-pyrazole-3-carboxamide

C17H21N3O2 — CID 94578733

IUPACN-cyclopropyl-5-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)n[nH]1
InChIInChI=1S/C17H21N3O2/c1-10-7-14(10)16-6-5-13(22-16)9-20(12-3-4-12)17(21)15-8-11(2)18-19-15/h5-6,8,10,12,14H,3-4,7,9H2,1-2H3,(H,18,19)/t10-,14+/m0/s1
InChIKeyNFWUFMWHNYMNEI-IINYFYTJSA-N
MW299.37 g/mol
LogP3.24
Rot. Bonds5

About N-cyclopropyl-5-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1H-pyrazole-3-carboxamide

N-cyclopropyl-5-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 94578733) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID94578733
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-cyclopropyl-5-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)n[nH]1
InChIInChI=1S/C17H21N3O2/c1-10-7-14(10)16-6-5-13(22-16)9-20(12-3-4-12)17(21)15-8-11(2)18-19-15/h5-6,8,10,12,14H,3-4,7,9H2,1-2H3,(H,18,19)/t10-,14+/m0/s1
InChIKeyNFWUFMWHNYMNEI-IINYFYTJSA-N
XLogP3.24
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1H-pyrazole-3-carboxamide (CID 94578733) is N-cyclopropyl-5-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)n[nH]1.
What is the InChIKey of N-cyclopropyl-5-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is NFWUFMWHNYMNEI-IINYFYTJSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-10-7-14(10)16-6-5-13(22-16)9-20(12-3-4-12)17(21)15-8-11(2)18-19-15/h5-6,8,10,12,14H,3-4,7,9H2,1-2H3,(H,18,19)/t10-,14+/m0/s1.
What are the key properties of N-cyclopropyl-5-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1H-pyrazole-3-carboxamide?
N-cyclopropyl-5-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 94578733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).