N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide

C19H25N3O — CID 124751399

IUPACN-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide
SMILESCN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)CCc1cn[nH]c1
InChIInChI=1S/C19H25N3O/c1-18(2)13-19(18,16-7-5-4-6-8-16)14-22(3)17(23)10-9-15-11-20-21-12-15/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,20,21)/t19-/m0/s1
InChIKeyGLCGAYMPDHYVRD-IBGZPJMESA-N
MW311.43 g/mol
LogP3.17
Rot. Bonds6

About N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide

N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 124751399) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide
PubChem CID124751399
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide
SMILESCN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)CCc1cn[nH]c1
InChIInChI=1S/C19H25N3O/c1-18(2)13-19(18,16-7-5-4-6-8-16)14-22(3)17(23)10-9-15-11-20-21-12-15/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,20,21)/t19-/m0/s1
InChIKeyGLCGAYMPDHYVRD-IBGZPJMESA-N
XLogP3.17
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide (CID 124751399) is N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide is CN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)CCc1cn[nH]c1.
What is the InChIKey of N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is GLCGAYMPDHYVRD-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25N3O/c1-18(2)13-19(18,16-7-5-4-6-8-16)14-22(3)17(23)10-9-15-11-20-21-12-15/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,20,21)/t19-/m0/s1.
What are the key properties of N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide?
N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 311.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 124751399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).