4-amino-N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-carboxamide

C14H18N4O2 — CID 63103249

IUPAC4-amino-N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(OCC(C)NC(=O)c2[nH]ncc2N)cc1
InChIInChI=1S/C14H18N4O2/c1-9-3-5-11(6-4-9)20-8-10(2)17-14(19)13-12(15)7-16-18-13/h3-7,10H,8,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHFHVZDKIGOFRTJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.50
Rot. Bonds5

About 4-amino-N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-carboxamide

4-amino-N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-carboxamide (PubChem CID 63103249) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-amino-N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-carboxamide
PubChem CID63103249
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-amino-N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(OCC(C)NC(=O)c2[nH]ncc2N)cc1
InChIInChI=1S/C14H18N4O2/c1-9-3-5-11(6-4-9)20-8-10(2)17-14(19)13-12(15)7-16-18-13/h3-7,10H,8,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHFHVZDKIGOFRTJ-UHFFFAOYSA-N
XLogP1.50
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118580361
4-amino-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-5-carboxamide
CID 107210477
4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 82944742
4-amino-N-[1-(2-methylphenyl)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 55178986
6-bromo-N-[1-(4-methylphenoxy)propan-2-yl]pyridine-3-carboxamide
CID 66464126
4-methoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 95179251
2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 61171488
N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide
CID 52777916
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
5-amino-4-methylidene-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide
CID 121485948
methyl 2-[(4-amino-1H-pyrazole-5-carbonyl)amino]-2-phenylacetate
CID 63102517
4-amino-N-but-3-yn-2-yl-1H-pyrazole-5-carboxamide
CID 114414627

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-carboxamide (CID 63103249) is 4-amino-N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-carboxamide is Cc1ccc(OCC(C)NC(=O)c2[nH]ncc2N)cc1.
What is the InChIKey of 4-amino-N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is HFHVZDKIGOFRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-3-5-11(6-4-9)20-8-10(2)17-14(19)13-12(15)7-16-18-13/h3-7,10H,8,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-carboxamide?
4-amino-N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63103249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).