4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide

C8H14N4O — CID 61285698

IUPAC4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide
SMILESNCCCC(=O)NCc1ccn[nH]1
InChIInChI=1S/C8H14N4O/c9-4-1-2-8(13)10-6-7-3-5-11-12-7/h3,5H,1-2,4,6,9H2,(H,10,13)(H,11,12)
InChIKeyVVBYMKIUVVSUIK-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.24
Rot. Bonds5

About 4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide

4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide (PubChem CID 61285698) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide
PubChem CID61285698
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide
SMILESNCCCC(=O)NCc1ccn[nH]1
InChIInChI=1S/C8H14N4O/c9-4-1-2-8(13)10-6-7-3-5-11-12-7/h3,5H,1-2,4,6,9H2,(H,10,13)(H,11,12)
InChIKeyVVBYMKIUVVSUIK-UHFFFAOYSA-N
XLogP-0.24
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-6-(1H-pyrazol-5-ylmethylamino)hexanoic acid
CID 61286078
5-chloro-N-(1H-pyrazol-5-ylmethyl)pentanamide
CID 61285695
3-oxo-3-(1H-pyrazol-5-ylmethylamino)propanoic acid
CID 62232296
3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 61284267
2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285808
2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 131084161
2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 71683363
3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide
CID 114875503
2-cyclobutyl-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 103706823
2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 61284127
2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 62500320
2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 61284266

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide?
The IUPAC name of 4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide (CID 61285698) is 4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide.
What is the SMILES notation for 4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide?
The canonical SMILES for 4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide is NCCCC(=O)NCc1ccn[nH]1.
What is the InChIKey of 4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide?
The InChIKey is VVBYMKIUVVSUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c9-4-1-2-8(13)10-6-7-3-5-11-12-7/h3,5H,1-2,4,6,9H2,(H,10,13)(H,11,12).
What are the key properties of 4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide?
4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide has a molecular weight of 182.23 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide is sourced from PubChem (CID 61285698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).