N-butan-2-yl-3-(1H-pyrazol-5-ylmethylamino)propanamide

C11H20N4O — CID 61021841

IUPACN-butan-2-yl-3-(1H-pyrazol-5-ylmethylamino)propanamide
SMILESCCC(C)NC(=O)CCNCc1ccn[nH]1
InChIInChI=1S/C11H20N4O/c1-3-9(2)14-11(16)5-6-12-8-10-4-7-13-15-10/h4,7,9,12H,3,5-6,8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyLUCUMHGNHMFPMO-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.80
Rot. Bonds7

About N-butan-2-yl-3-(1H-pyrazol-5-ylmethylamino)propanamide

N-butan-2-yl-3-(1H-pyrazol-5-ylmethylamino)propanamide (PubChem CID 61021841) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-butan-2-yl-3-(1H-pyrazol-5-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(1H-pyrazol-5-ylmethylamino)propanamide
PubChem CID61021841
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-butan-2-yl-3-(1H-pyrazol-5-ylmethylamino)propanamide
SMILESCCC(C)NC(=O)CCNCc1ccn[nH]1
InChIInChI=1S/C11H20N4O/c1-3-9(2)14-11(16)5-6-12-8-10-4-7-13-15-10/h4,7,9,12H,3,5-6,8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyLUCUMHGNHMFPMO-UHFFFAOYSA-N
XLogP0.80
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propanamide
CID 62742182
N-propan-2-yl-2-(1H-pyrazol-5-ylmethylamino)acetamide
CID 43662596
N-butan-2-yl-3-(1,3-thiazol-2-ylmethylamino)propanamide
CID 63002028
N-butan-2-yl-3-[(4-chlorophenyl)methylamino]propanamide
CID 54893832
3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide
CID 114875503
ethyl 4-(1H-pyrazol-5-ylmethylamino)butanoate
CID 64578531
N-butan-2-yl-3-[(4-methylsulfanylphenyl)methylamino]propanamide
CID 54893410
N-butan-2-yl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide
CID 61022788
N-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 60956727
N-butan-2-yl-3-[(2-cyano-4-pyridinyl)methylamino]propanamide
CID 63883080
3-[(2-bromo-5-chlorophenyl)methylamino]-N-butan-2-ylpropanamide
CID 66160355
4-[[[3-(butan-2-ylamino)-3-oxopropyl]amino]methyl]-2-fluorobenzoic acid
CID 106699780

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(1H-pyrazol-5-ylmethylamino)propanamide?
The IUPAC name of N-butan-2-yl-3-(1H-pyrazol-5-ylmethylamino)propanamide (CID 61021841) is N-butan-2-yl-3-(1H-pyrazol-5-ylmethylamino)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(1H-pyrazol-5-ylmethylamino)propanamide?
The canonical SMILES for N-butan-2-yl-3-(1H-pyrazol-5-ylmethylamino)propanamide is CCC(C)NC(=O)CCNCc1ccn[nH]1.
What is the InChIKey of N-butan-2-yl-3-(1H-pyrazol-5-ylmethylamino)propanamide?
The InChIKey is LUCUMHGNHMFPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-9(2)14-11(16)5-6-12-8-10-4-7-13-15-10/h4,7,9,12H,3,5-6,8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-butan-2-yl-3-(1H-pyrazol-5-ylmethylamino)propanamide?
N-butan-2-yl-3-(1H-pyrazol-5-ylmethylamino)propanamide has a molecular weight of 224.31 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(1H-pyrazol-5-ylmethylamino)propanamide is sourced from PubChem (CID 61021841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).