3-[5-(2-methylpropyl)-1H-pyrazol-4-yl]propanimidamide

C10H18N4 — CID 121212971

IUPAC3-[5-(2-methylpropyl)-1H-pyrazol-4-yl]propanimidamide
SMILES[H]/N=C(\N)CCc1cn[nH]c1CC(C)C
InChIInChI=1S/C10H18N4/c1-7(2)5-9-8(6-13-14-9)3-4-10(11)12/h6-7H,3-5H2,1-2H3,(H3,11,12)(H,13,14)
InChIKeyICXKNRVBYYHJDI-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.48
Rot. Bonds5

About 3-[5-(2-methylpropyl)-1H-pyrazol-4-yl]propanimidamide

3-[5-(2-methylpropyl)-1H-pyrazol-4-yl]propanimidamide (PubChem CID 121212971) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[5-(2-methylpropyl)-1H-pyrazol-4-yl]propanimidamide.

Molecular Properties

Compound Name3-[5-(2-methylpropyl)-1H-pyrazol-4-yl]propanimidamide
PubChem CID121212971
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3-[5-(2-methylpropyl)-1H-pyrazol-4-yl]propanimidamide
SMILES[H]/N=C(\N)CCc1cn[nH]c1CC(C)C
InChIInChI=1S/C10H18N4/c1-7(2)5-9-8(6-13-14-9)3-4-10(11)12/h6-7H,3-5H2,1-2H3,(H3,11,12)(H,13,14)
InChIKeyICXKNRVBYYHJDI-UHFFFAOYSA-N
XLogP1.48
TPSA78.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.48
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'}

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Related Compounds

N-methyl-2-[5-(2-methylpropyl)-1H-pyrazol-4-yl]ethanamine
CID 105439777
4-methyl-5-(2-methylpropyl)-1H-pyrazole
CID 3805989
2-[4-(2-methylpropyl)phenyl]ethanimidamide
CID 58177919
2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]ethanimidamide
CID 149175653
4-(2-methylpropyl)-5-propan-2-yl-1H-pyrazole
CID 155459840
5-hydroxy-4-methylpentanimidamide
CID 91614670
2-[5-(hydroxymethyl)-1H-pyrazol-4-yl]ethanol
CID 151539359
ethane;3-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]propanimidamide
CID 142200342
3-(4-methylphenyl)propanimidamide;hydrochloride
CID 69159205
3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide
CID 114528120
4-[2-[2-(4-amino-4-iminobutyl)phenyl]sulfanylphenyl]butanimidamide
CID 25071816
4,4-diiodobutanimidamide
CID 57304657

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylpropyl)-1H-pyrazol-4-yl]propanimidamide?
The IUPAC name of 3-[5-(2-methylpropyl)-1H-pyrazol-4-yl]propanimidamide (CID 121212971) is 3-[5-(2-methylpropyl)-1H-pyrazol-4-yl]propanimidamide.
What is the SMILES notation for 3-[5-(2-methylpropyl)-1H-pyrazol-4-yl]propanimidamide?
The canonical SMILES for 3-[5-(2-methylpropyl)-1H-pyrazol-4-yl]propanimidamide is [H]/N=C(\N)CCc1cn[nH]c1CC(C)C.
What is the InChIKey of 3-[5-(2-methylpropyl)-1H-pyrazol-4-yl]propanimidamide?
The InChIKey is ICXKNRVBYYHJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7(2)5-9-8(6-13-14-9)3-4-10(11)12/h6-7H,3-5H2,1-2H3,(H3,11,12)(H,13,14).
What are the key properties of 3-[5-(2-methylpropyl)-1H-pyrazol-4-yl]propanimidamide?
3-[5-(2-methylpropyl)-1H-pyrazol-4-yl]propanimidamide has a molecular weight of 194.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylpropyl)-1H-pyrazol-4-yl]propanimidamide is sourced from PubChem (CID 121212971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).