N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide

C19H22N4O — CID 50984517

IUPACN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCN(Cc1cc(C2CC2)n[nH]1)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C19H22N4O/c1-23(12-15-10-18(22-21-15)13-6-7-13)19(24)9-8-14-11-20-17-5-3-2-4-16(14)17/h2-5,10-11,13,20H,6-9,12H2,1H3,(H,21,22)
InChIKeyOGGULBVMTHHHQN-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.36
Rot. Bonds6

About N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide (PubChem CID 50984517) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
PubChem CID50984517
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCN(Cc1cc(C2CC2)n[nH]1)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C19H22N4O/c1-23(12-15-10-18(22-21-15)13-6-7-13)19(24)9-8-14-11-20-17-5-3-2-4-16(14)17/h2-5,10-11,13,20H,6-9,12H2,1H3,(H,21,22)
InChIKeyOGGULBVMTHHHQN-UHFFFAOYSA-N
XLogP3.36
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60652678
N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
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3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide
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4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
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3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
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2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
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N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-3-(1H-indol-3-yl)propanamide
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[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
The IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide (CID 50984517) is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide.
What is the SMILES notation for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
The canonical SMILES for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide is CN(Cc1cc(C2CC2)n[nH]1)C(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
The InChIKey is OGGULBVMTHHHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-23(12-15-10-18(22-21-15)13-6-7-13)19(24)9-8-14-11-20-17-5-3-2-4-16(14)17/h2-5,10-11,13,20H,6-9,12H2,1H3,(H,21,22).
What are the key properties of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide has a molecular weight of 322.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 50984517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).