N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C18H27N5O — CID 134702438

IUPACN-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1cc(NC(=O)CCc2c(C)nn(C)c2C)n(C(C)C2CC2)n1
InChIInChI=1S/C18H27N5O/c1-11-10-17(23(20-11)13(3)15-6-7-15)19-18(24)9-8-16-12(2)21-22(5)14(16)4/h10,13,15H,6-9H2,1-5H3,(H,19,24)
InChIKeyMVAMVTNWKQCEFW-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.08
Rot. Bonds6

About N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 134702438) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID134702438
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1cc(NC(=O)CCc2c(C)nn(C)c2C)n(C(C)C2CC2)n1
InChIInChI=1S/C18H27N5O/c1-11-10-17(23(20-11)13(3)15-6-7-15)19-18(24)9-8-16-12(2)21-22(5)14(16)4/h10,13,15H,6-9H2,1-5H3,(H,19,24)
InChIKeyMVAMVTNWKQCEFW-UHFFFAOYSA-N
XLogP3.08
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 134702438) is N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1cc(NC(=O)CCc2c(C)nn(C)c2C)n(C(C)C2CC2)n1.
What is the InChIKey of N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is MVAMVTNWKQCEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-11-10-17(23(20-11)13(3)15-6-7-15)19-18(24)9-8-16-12(2)21-22(5)14(16)4/h10,13,15H,6-9H2,1-5H3,(H,19,24).
What are the key properties of N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 329.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 134702438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).