3-amino-2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide

C14H18N4O — CID 81470210

IUPAC3-amino-2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
SMILESCC(C)(CN)C(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C14H18N4O/c1-14(2,9-15)13(19)17-11-5-3-10(4-6-11)12-7-8-16-18-12/h3-8H,9,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyBENBGNGPTXHMSW-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.00
Rot. Bonds4

About 3-amino-2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide

3-amino-2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide (PubChem CID 81470210) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
PubChem CID81470210
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-amino-2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
SMILESCC(C)(CN)C(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C14H18N4O/c1-14(2,9-15)13(19)17-11-5-3-10(4-6-11)12-7-8-16-18-12/h3-8H,9,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyBENBGNGPTXHMSW-UHFFFAOYSA-N
XLogP2.00
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2,2-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide
CID 115426240
3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 62668887
3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 61248448
1-(4-hydroxy-2,2-dimethylbutyl)-3-[4-(1H-pyrazol-5-yl)phenyl]urea
CID 111474787
2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide
CID 60850157
7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide
CID 43713256
methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate
CID 81490095
(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 61179187
methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate
CID 47174001
N-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline
CID 61324337
1-[2-[(S)-tert-butylsulfinyl]ethyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea
CID 97007742
(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide;hydrochloride
CID 119399823

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide (CID 81470210) is 3-amino-2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide is CC(C)(CN)C(=O)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 3-amino-2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide?
The InChIKey is BENBGNGPTXHMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(2,9-15)13(19)17-11-5-3-10(4-6-11)12-7-8-16-18-12/h3-8H,9,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 3-amino-2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide?
3-amino-2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide has a molecular weight of 258.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 81470210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).