2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-propylpentanamide

C14H25N5O2 — CID 76989091

IUPAC2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NCc1ccnn1C)C(N)=NO
InChIInChI=1S/C14H25N5O2/c1-4-7-14(8-5-2,12(15)18-21)13(20)16-10-11-6-9-17-19(11)3/h6,9,21H,4-5,7-8,10H2,1-3H3,(H2,15,18)(H,16,20)
InChIKeyFBMLMVLYYAWQKM-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.37
Rot. Bonds8

About 2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-propylpentanamide

2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-propylpentanamide (PubChem CID 76989091) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-propylpentanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-propylpentanamide
PubChem CID76989091
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NCc1ccnn1C)C(N)=NO
InChIInChI=1S/C14H25N5O2/c1-4-7-14(8-5-2,12(15)18-21)13(20)16-10-11-6-9-17-19(11)3/h6,9,21H,4-5,7-8,10H2,1-3H3,(H2,15,18)(H,16,20)
InChIKeyFBMLMVLYYAWQKM-UHFFFAOYSA-N
XLogP1.37
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)-2-propylpentanamide
CID 106421903
2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpentanamide
CID 103007055
2-(N'-hydroxycarbamimidoyl)-N-[(5-methylthiophen-2-yl)methyl]-2-propylpentanamide
CID 76932961
3-amino-3-hydroxyimino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 76989094
2-(N'-hydroxycarbamimidoyl)-N-(2-imidazol-1-ylethyl)-2-propylpentanamide
CID 76925978
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63302579
1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 131154196
3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 64678263
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302481
N-(2-cyclobutylethyl)-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide
CID 104864532
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide;hydrochloride
CID 119727683

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-propylpentanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-propylpentanamide (CID 76989091) is 2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-propylpentanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-propylpentanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-propylpentanamide is CCCC(CCC)(C(=O)NCc1ccnn1C)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-propylpentanamide?
The InChIKey is FBMLMVLYYAWQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-4-7-14(8-5-2,12(15)18-21)13(20)16-10-11-6-9-17-19(11)3/h6,9,21H,4-5,7-8,10H2,1-3H3,(H2,15,18)(H,16,20).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-propylpentanamide?
2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-propylpentanamide has a molecular weight of 295.39 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-propylpentanamide is sourced from PubChem (CID 76989091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).