N-cyclopropyl-2-hydroxy-3-[3-(1-methylpyrazol-4-yl)propanoylamino]heptanamide

C17H28N4O3 — CID 126801958

IUPACN-cyclopropyl-2-hydroxy-3-[3-(1-methylpyrazol-4-yl)propanoylamino]heptanamide
SMILESCCCCC(NC(=O)CCc1cnn(C)c1)C(O)C(=O)NC1CC1
InChIInChI=1S/C17H28N4O3/c1-3-4-5-14(16(23)17(24)19-13-7-8-13)20-15(22)9-6-12-10-18-21(2)11-12/h10-11,13-14,16,23H,3-9H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyNQLYVSMWLWKJLH-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.67
Rot. Bonds10

About N-cyclopropyl-2-hydroxy-3-[3-(1-methylpyrazol-4-yl)propanoylamino]heptanamide

N-cyclopropyl-2-hydroxy-3-[3-(1-methylpyrazol-4-yl)propanoylamino]heptanamide (PubChem CID 126801958) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-cyclopropyl-2-hydroxy-3-[3-(1-methylpyrazol-4-yl)propanoylamino]heptanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-hydroxy-3-[3-(1-methylpyrazol-4-yl)propanoylamino]heptanamide
PubChem CID126801958
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-cyclopropyl-2-hydroxy-3-[3-(1-methylpyrazol-4-yl)propanoylamino]heptanamide
SMILESCCCCC(NC(=O)CCc1cnn(C)c1)C(O)C(=O)NC1CC1
InChIInChI=1S/C17H28N4O3/c1-3-4-5-14(16(23)17(24)19-13-7-8-13)20-15(22)9-6-12-10-18-21(2)11-12/h10-11,13-14,16,23H,3-9H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyNQLYVSMWLWKJLH-UHFFFAOYSA-N
XLogP0.67
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylpyrazol-4-yl)-N-[(1S)-1-phenylbutyl]propanamide
CID 94580103
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(2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide
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2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide
CID 80682285
1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one
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(2S,3S)-3-methyl-2-[3-(1-methylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119194048
N-(2-hydroxypropyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 110900059
1-(1-methylpyrazol-4-yl)tetradecan-3-ol
CID 103027779
3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590228
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 94612179
3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride
CID 119427806
ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate
CID 103002910

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-hydroxy-3-[3-(1-methylpyrazol-4-yl)propanoylamino]heptanamide?
The IUPAC name of N-cyclopropyl-2-hydroxy-3-[3-(1-methylpyrazol-4-yl)propanoylamino]heptanamide (CID 126801958) is N-cyclopropyl-2-hydroxy-3-[3-(1-methylpyrazol-4-yl)propanoylamino]heptanamide.
What is the SMILES notation for N-cyclopropyl-2-hydroxy-3-[3-(1-methylpyrazol-4-yl)propanoylamino]heptanamide?
The canonical SMILES for N-cyclopropyl-2-hydroxy-3-[3-(1-methylpyrazol-4-yl)propanoylamino]heptanamide is CCCCC(NC(=O)CCc1cnn(C)c1)C(O)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-hydroxy-3-[3-(1-methylpyrazol-4-yl)propanoylamino]heptanamide?
The InChIKey is NQLYVSMWLWKJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-3-4-5-14(16(23)17(24)19-13-7-8-13)20-15(22)9-6-12-10-18-21(2)11-12/h10-11,13-14,16,23H,3-9H2,1-2H3,(H,19,24)(H,20,22).
What are the key properties of N-cyclopropyl-2-hydroxy-3-[3-(1-methylpyrazol-4-yl)propanoylamino]heptanamide?
N-cyclopropyl-2-hydroxy-3-[3-(1-methylpyrazol-4-yl)propanoylamino]heptanamide has a molecular weight of 336.44 g/mol, XLogP of 0.67, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-hydroxy-3-[3-(1-methylpyrazol-4-yl)propanoylamino]heptanamide is sourced from PubChem (CID 126801958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).