3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide

C14H18N4O2 — CID 64524057

IUPAC3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide
SMILESCN(CCCOc1ccccc1)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C14H18N4O2/c1-18(14(19)12-10-13(15)17-16-12)8-5-9-20-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H3,15,16,17)
InChIKeyJJNBOSOHWVPBSD-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.53
Rot. Bonds6

About 3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide

3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide (PubChem CID 64524057) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide
PubChem CID64524057
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide
SMILESCN(CCCOc1ccccc1)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C14H18N4O2/c1-18(14(19)12-10-13(15)17-16-12)8-5-9-20-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H3,15,16,17)
InChIKeyJJNBOSOHWVPBSD-UHFFFAOYSA-N
XLogP1.53
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64524072
N-methyl-N-(3-phenoxypropyl)-2H-triazole-4-carboxamide
CID 112733409
4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
CID 61114831
5-cyclopropyl-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide
CID 38579323
ethyl 3-[(3-amino-1H-pyrazole-5-carbonyl)-methylamino]propanoate
CID 64525088
3-amino-N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64523494
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523107
6-bromo-N-methyl-N-(3-phenoxypropyl)pyridine-2-carboxamide
CID 103875146
2-[ethyl(methyl)amino]-N-methyl-N-(3-phenoxypropyl)-2-phenylacetamide
CID 56510183
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
(2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide
CID 61162984

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide (CID 64524057) is 3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide is CN(CCCOc1ccccc1)C(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide?
The InChIKey is JJNBOSOHWVPBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-18(14(19)12-10-13(15)17-16-12)8-5-9-20-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H3,15,16,17).
What are the key properties of 3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide?
3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).