N'-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropanecarboximidamide

C9H14N4 — CID 63178022

IUPACN'-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropanecarboximidamide
SMILESCc1[nH]ncc1C/N=C(\N)C1CC1
InChIInChI=1S/C9H14N4/c1-6-8(5-12-13-6)4-11-9(10)7-2-3-7/h5,7H,2-4H2,1H3,(H2,10,11)(H,12,13)
InChIKeyLAWXVMRHFAFHIQ-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.99
Rot. Bonds3

About N'-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropanecarboximidamide

N'-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropanecarboximidamide (PubChem CID 63178022) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is N'-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropanecarboximidamide
PubChem CID63178022
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC NameN'-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropanecarboximidamide
SMILESCc1[nH]ncc1C/N=C(\N)C1CC1
InChIInChI=1S/C9H14N4/c1-6-8(5-12-13-6)4-11-9(10)7-2-3-7/h5,7H,2-4H2,1H3,(H2,10,11)(H,12,13)
InChIKeyLAWXVMRHFAFHIQ-UHFFFAOYSA-N
XLogP0.99
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine
CID 62369717
N'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide
CID 114957607
2-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylguanidine
CID 62363317
1-(cyclobutylmethyl)-3-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine
CID 119151385
N'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide
CID 63174432
1-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-prop-2-ynylguanidine;hydroiodide
CID 119149095
N'-hydroxy-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboximidamide
CID 77042423
N'-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboximidamide
CID 63175747
2-(cyclobutylmethyl)-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
CID 111042629
N'-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropanecarboximidamide
CID 130892923
1-amino-3-cyclopropyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
CID 104884313
(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
CID 39221504

Frequently Asked Questions

What is the IUPAC name of N'-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropanecarboximidamide?
The IUPAC name of N'-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropanecarboximidamide (CID 63178022) is N'-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropanecarboximidamide.
What is the SMILES notation for N'-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropanecarboximidamide?
The canonical SMILES for N'-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropanecarboximidamide is Cc1[nH]ncc1C/N=C(\N)C1CC1.
What is the InChIKey of N'-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropanecarboximidamide?
The InChIKey is LAWXVMRHFAFHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-6-8(5-12-13-6)4-11-9(10)7-2-3-7/h5,7H,2-4H2,1H3,(H2,10,11)(H,12,13).
What are the key properties of N'-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropanecarboximidamide?
N'-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropanecarboximidamide has a molecular weight of 178.24 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropanecarboximidamide is sourced from PubChem (CID 63178022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).