N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]-1-methylpyrazole-3-carboxamide

C11H19N5O2 — CID 103121348

IUPACN-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCCC(CC)(NC(=O)c1ccn(C)n1)/C(N)=N/O
InChIInChI=1S/C11H19N5O2/c1-4-11(5-2,10(12)15-18)13-9(17)8-6-7-16(3)14-8/h6-7,18H,4-5H2,1-3H3,(H2,12,15)(H,13,17)
InChIKeyIPCFMTNRCMVKAE-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.46
Rot. Bonds5

About N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]-1-methylpyrazole-3-carboxamide

N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 103121348) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]-1-methylpyrazole-3-carboxamide
PubChem CID103121348
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCCC(CC)(NC(=O)c1ccn(C)n1)/C(N)=N/O
InChIInChI=1S/C11H19N5O2/c1-4-11(5-2,10(12)15-18)13-9(17)8-6-7-16(3)14-8/h6-7,18H,4-5H2,1-3H3,(H2,12,15)(H,13,17)
InChIKeyIPCFMTNRCMVKAE-UHFFFAOYSA-N
XLogP0.46
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.46
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

N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
(4-Methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 39891793
5-[1-(1-Ethyl-1H-pyrazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201708
Ethane-1,2-diamine, N,N'-(1-methyl-5-pyrazolylcarbonyl)-
CID 573224
1-propyl-1H-pyrazole-3-carboxamide
CID 21658321
N-methyl-1-(piperidin-3-yl)-1H-pyrazole-3-carboxamide hydrochloride
CID 86775453
3,3-dimethyl-4-(1-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 25843701
4-(1-ethyl-1H-pyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one
CID 42138640
N-cyclopropyl-2-{1-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]tetrahydro-1H-pyrrol-3-yl}acetamide
CID 91917776
5-(2-Ethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201391

Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]-1-methylpyrazole-3-carboxamide (CID 103121348) is N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]-1-methylpyrazole-3-carboxamide is CCC(CC)(NC(=O)c1ccn(C)n1)/C(N)=N/O.
What is the InChIKey of N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is IPCFMTNRCMVKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-4-11(5-2,10(12)15-18)13-9(17)8-6-7-16(3)14-8/h6-7,18H,4-5H2,1-3H3,(H2,12,15)(H,13,17).
What are the key properties of N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]-1-methylpyrazole-3-carboxamide?
N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103121348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).