N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide

C11H21IN6O — CID 110018237

IUPACN-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide
SMILESCC(C)C/N=C(\N)NCCNC(=O)c1ccn[nH]1.I
InChIInChI=1S/C11H20N6O.HI/c1-8(2)7-15-11(12)14-6-5-13-10(18)9-3-4-16-17-9;/h3-4,8H,5-7H2,1-2H3,(H,13,18)(H,16,17)(H3,12,14,15);1H
InChIKeyZXNDTXRCDPOOGT-UHFFFAOYSA-N
MW380.23 g/mol
LogP0.32
Rot. Bonds6

About N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide

N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide (PubChem CID 110018237) has the molecular formula C11H21IN6O and a molecular weight of 380.23 g/mol. Its IUPAC name is N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide
PubChem CID110018237
Molecular FormulaC11H21IN6O
Molecular Weight380.23 g/mol
Exact Mass380.08
IUPAC NameN-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide
SMILESCC(C)C/N=C(\N)NCCNC(=O)c1ccn[nH]1.I
InChIInChI=1S/C11H20N6O.HI/c1-8(2)7-15-11(12)14-6-5-13-10(18)9-3-4-16-17-9;/h3-4,8H,5-7H2,1-2H3,(H,13,18)(H,16,17)(H3,12,14,15);1H
InChIKeyZXNDTXRCDPOOGT-UHFFFAOYSA-N
XLogP0.32
TPSA108.19 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111042953
N-(2-amino-4-methylpentyl)-1H-pyrazole-5-carboxamide
CID 107158805
2-chloro-N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111043273
N-[2-[bis(ethylamino)methylideneamino]ethyl]-1H-pyrazole-5-carboxamide
CID 110017698
N-[2-[1-(3,4-difluorophenyl)ethylamino]ethyl]-1H-pyrazole-5-carboxamide
CID 86785665
3-methyl-2-[(1H-pyrazole-5-carbonylamino)methyl]butanoic acid
CID 65220054
N-[2-(cyclohex-3-ene-1-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 167920644
N-(4-bromo-2-methylbutyl)-1H-pyrazole-5-carboxamide
CID 114316784
N-[3-[methyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide
CID 167894879
N-[2-[[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide
CID 99782382
N-[2-[(4-fluoro-2-methylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide
CID 75518713
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 115700228

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide?
The IUPAC name of N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide (CID 110018237) is N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide.
What is the SMILES notation for N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide?
The canonical SMILES for N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide is CC(C)C/N=C(\N)NCCNC(=O)c1ccn[nH]1.I.
What is the InChIKey of N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide?
The InChIKey is ZXNDTXRCDPOOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O.HI/c1-8(2)7-15-11(12)14-6-5-13-10(18)9-3-4-16-17-9;/h3-4,8H,5-7H2,1-2H3,(H,13,18)(H,16,17)(H3,12,14,15);1H.
What are the key properties of N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide?
N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide has a molecular weight of 380.23 g/mol, XLogP of 0.32, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide is sourced from PubChem (CID 110018237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).