N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-pyrazol-1-ylbutanamide

C19H22N4O — CID 72883487

IUPACN-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1)n1cccn1
InChIInChI=1S/C19H22N4O/c1-2-18(23-11-3-9-21-23)19(24)22(16-5-6-16)13-14-4-7-17-15(12-14)8-10-20-17/h3-4,7-12,16,18,20H,2,5-6,13H2,1H3
InChIKeyBYBUZVHHZOHEKW-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.51
Rot. Bonds6

About N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-pyrazol-1-ylbutanamide

N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-pyrazol-1-ylbutanamide (PubChem CID 72883487) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-pyrazol-1-ylbutanamide
PubChem CID72883487
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1)n1cccn1
InChIInChI=1S/C19H22N4O/c1-2-18(23-11-3-9-21-23)19(24)22(16-5-6-16)13-14-4-7-17-15(12-14)8-10-20-17/h3-4,7-12,16,18,20H,2,5-6,13H2,1H3
InChIKeyBYBUZVHHZOHEKW-UHFFFAOYSA-N
XLogP3.51
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-pyrazol-1-ylbutanamide?
The IUPAC name of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-pyrazol-1-ylbutanamide (CID 72883487) is N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-pyrazol-1-ylbutanamide?
The canonical SMILES for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-pyrazol-1-ylbutanamide is CCC(C(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1)n1cccn1.
What is the InChIKey of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-pyrazol-1-ylbutanamide?
The InChIKey is BYBUZVHHZOHEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-18(23-11-3-9-21-23)19(24)22(16-5-6-16)13-14-4-7-17-15(12-14)8-10-20-17/h3-4,7-12,16,18,20H,2,5-6,13H2,1H3.
What are the key properties of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-pyrazol-1-ylbutanamide?
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-pyrazol-1-ylbutanamide has a molecular weight of 322.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 72883487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).