cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid

C13H19N3O3 — CID 114091934

About cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid

cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 114091934) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
• PubChem CID: 114091934
• Molecular Formula: C13H19N3O3
• Molecular Weight: 265.31 g/mol
• Exact Mass: 265.14
• IUPAC Name: cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
• SMILES: CN(Cc1cnn(C)c1)C(=O)[C@H]1[C@@H](C(=O)O)C1(C)C
• InChI: InChI=1S/C13H19N3O3/c1-13(2)9(10(13)12(18)19)11(17)15(3)6-8-5-14-16(4)7-8/h5,7,9-10H,6H2,1-4H3,(H,18,19)/t9-,10+/m1/s1
• InChIKey: NFQISMBWHKGPQB-ZJUUUORDSA-N
• XLogP: 0.74
• TPSA: 75.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	265.31
LogP ≤ 5	0.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?

The IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 114091934) is cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid.

What is the SMILES notation for cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?

The canonical SMILES for cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid is CN(Cc1cnn(C)c1)C(=O)[C@H]1[C@@H](C(=O)O)C1(C)C.

What is the InChIKey of cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?

The InChIKey is NFQISMBWHKGPQB-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2)9(10(13)12(18)19)11(17)15(3)6-8-5-14-16(4)7-8/h5,7,9-10H,6H2,1-4H3,(H,18,19)/t9-,10+/m1/s1.

What are the key properties of cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?

cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 114091934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).