N-(1-cyclopropyl-3-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C15H25N3O2 — CID 71847165

IUPACN-(1-cyclopropyl-3-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC(CCO)C1CC1
InChIInChI=1S/C15H25N3O2/c1-10-13(11(2)18(3)17-10)6-7-15(20)16-14(8-9-19)12-4-5-12/h12,14,19H,4-9H2,1-3H3,(H,16,20)
InChIKeyQHXYVJNUMVNKMQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.25
Rot. Bonds7

About N-(1-cyclopropyl-3-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(1-cyclopropyl-3-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 71847165) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(1-cyclopropyl-3-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-3-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID71847165
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(1-cyclopropyl-3-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC(CCO)C1CC1
InChIInChI=1S/C15H25N3O2/c1-10-13(11(2)18(3)17-10)6-7-15(20)16-14(8-9-19)12-4-5-12/h12,14,19H,4-9H2,1-3H3,(H,16,20)
InChIKeyQHXYVJNUMVNKMQ-UHFFFAOYSA-N
XLogP1.25
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-3-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(1-cyclopropyl-3-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 71847165) is N-(1-cyclopropyl-3-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(1-cyclopropyl-3-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(1-cyclopropyl-3-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NC(CCO)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-3-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is QHXYVJNUMVNKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10-13(11(2)18(3)17-10)6-7-15(20)16-14(8-9-19)12-4-5-12/h12,14,19H,4-9H2,1-3H3,(H,16,20).
What are the key properties of N-(1-cyclopropyl-3-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(1-cyclopropyl-3-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 279.38 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-3-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 71847165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).