2-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-prop-2-ynylguanidine;hydroiodide

C10H16IN5 — CID 119149131

IUPAC2-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-prop-2-ynylguanidine;hydroiodide
SMILESC#CCN/C(=N\C)NCc1cn[nH]c1C.I
InChIInChI=1S/C10H15N5.HI/c1-4-5-12-10(11-3)13-6-9-7-14-15-8(9)2;/h1,7H,5-6H2,2-3H3,(H,14,15)(H2,11,12,13);1H
InChIKeyQPCWVTJFPJPYLB-UHFFFAOYSA-N
MW333.18 g/mol
LogP0.63
Rot. Bonds3

About 2-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-prop-2-ynylguanidine;hydroiodide

2-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-prop-2-ynylguanidine;hydroiodide (PubChem CID 119149131) has the molecular formula C10H16IN5 and a molecular weight of 333.18 g/mol. Its IUPAC name is 2-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-prop-2-ynylguanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-prop-2-ynylguanidine;hydroiodide
PubChem CID119149131
Molecular FormulaC10H16IN5
Molecular Weight333.18 g/mol
Exact Mass333.05
IUPAC Name2-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-prop-2-ynylguanidine;hydroiodide
SMILESC#CCN/C(=N\C)NCc1cn[nH]c1C.I
InChIInChI=1S/C10H15N5.HI/c1-4-5-12-10(11-3)13-6-9-7-14-15-8(9)2;/h1,7H,5-6H2,2-3H3,(H,14,15)(H2,11,12,13);1H
InChIKeyQPCWVTJFPJPYLB-UHFFFAOYSA-N
XLogP0.63
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-prop-2-ynylguanidine;hydroiodide
CID 119149095
1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine
CID 119148864
2-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 119150859
N,N-dimethyl-1-[[[N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 119140413
2-methyl-1-prop-2-ynyl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]guanidine
CID 119148946
2-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 119141458
N-[(5-methyl-1H-pyrazol-4-yl)methyl]but-2-ynamide
CID 107989822
2-methyl-1-prop-2-ynyl-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111419988
N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143111
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 111846654
3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)propanamide
CID 103310272
N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
CID 64766749

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-prop-2-ynylguanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-prop-2-ynylguanidine;hydroiodide (CID 119149131) is 2-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-prop-2-ynylguanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-prop-2-ynylguanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-prop-2-ynylguanidine;hydroiodide is C#CCN/C(=N\C)NCc1cn[nH]c1C.I.
What is the InChIKey of 2-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-prop-2-ynylguanidine;hydroiodide?
The InChIKey is QPCWVTJFPJPYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5.HI/c1-4-5-12-10(11-3)13-6-9-7-14-15-8(9)2;/h1,7H,5-6H2,2-3H3,(H,14,15)(H2,11,12,13);1H.
What are the key properties of 2-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-prop-2-ynylguanidine;hydroiodide?
2-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-prop-2-ynylguanidine;hydroiodide has a molecular weight of 333.18 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-prop-2-ynylguanidine;hydroiodide is sourced from PubChem (CID 119149131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).