4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide

C14H18N4O — CID 55205488

IUPAC4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
SMILESNC(CCC(=O)NCc1cn[nH]c1)c1ccccc1
InChIInChI=1S/C14H18N4O/c15-13(12-4-2-1-3-5-12)6-7-14(19)16-8-11-9-17-18-10-11/h1-5,9-10,13H,6-8,15H2,(H,16,19)(H,17,18)
InChIKeyANOUJTCDPPEDPL-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.51
Rot. Bonds6

About 4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide

4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide (PubChem CID 55205488) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide.

Molecular Properties

Compound Name4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
PubChem CID55205488
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
SMILESNC(CCC(=O)NCc1cn[nH]c1)c1ccccc1
InChIInChI=1S/C14H18N4O/c15-13(12-4-2-1-3-5-12)6-7-14(19)16-8-11-9-17-18-10-11/h1-5,9-10,13H,6-8,15H2,(H,16,19)(H,17,18)
InChIKeyANOUJTCDPPEDPL-UHFFFAOYSA-N
XLogP1.51
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60769926
3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 62877321
4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide
CID 114332251
4-amino-N-[(3-fluorophenyl)methyl]-4-phenylbutanamide
CID 63324328
4-amino-N-[(3-bromophenyl)methyl]-4-phenylbutanamide
CID 63324005
(2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 93428558
3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide
CID 60999920
4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 63324363
N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide
CID 78981080
4-amino-N-(2-methoxypropyl)-4-phenylbutanamide
CID 102695108
(2S)-2-amino-3-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylmethylamino)ethyl]butanamide
CID 82962080
3-pyrazol-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 61004651

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The IUPAC name of 4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide (CID 55205488) is 4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide.
What is the SMILES notation for 4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The canonical SMILES for 4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide is NC(CCC(=O)NCc1cn[nH]c1)c1ccccc1.
What is the InChIKey of 4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The InChIKey is ANOUJTCDPPEDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-13(12-4-2-1-3-5-12)6-7-14(19)16-8-11-9-17-18-10-11/h1-5,9-10,13H,6-8,15H2,(H,16,19)(H,17,18).
What are the key properties of 4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide has a molecular weight of 258.32 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide is sourced from PubChem (CID 55205488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).