1-[(2,2-dimethylcyclopropyl)methyl]-3-methylpyrazol-4-amine

C10H17N3 — CID 165472336

IUPAC1-[(2,2-dimethylcyclopropyl)methyl]-3-methylpyrazol-4-amine
SMILESCc1nn(CC2CC2(C)C)cc1N
InChIInChI=1S/C10H17N3/c1-7-9(11)6-13(12-7)5-8-4-10(8,2)3/h6,8H,4-5,11H2,1-3H3
InChIKeySFEHCPWVYMXPJV-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.82
Rot. Bonds2

About 1-[(2,2-dimethylcyclopropyl)methyl]-3-methylpyrazol-4-amine

1-[(2,2-dimethylcyclopropyl)methyl]-3-methylpyrazol-4-amine (PubChem CID 165472336) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-[(2,2-dimethylcyclopropyl)methyl]-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(2,2-dimethylcyclopropyl)methyl]-3-methylpyrazol-4-amine
PubChem CID165472336
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-[(2,2-dimethylcyclopropyl)methyl]-3-methylpyrazol-4-amine
SMILESCc1nn(CC2CC2(C)C)cc1N
InChIInChI=1S/C10H17N3/c1-7-9(11)6-13(12-7)5-8-4-10(8,2)3/h6,8H,4-5,11H2,1-3H3
InChIKeySFEHCPWVYMXPJV-UHFFFAOYSA-N
XLogP1.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoroethyl)-3-methylpyrazol-4-amine
CID 86207976
1-(2,2-dimethylbutyl)-3-methylpyrazol-4-amine
CID 165479986
1-(2,4-dimethylpentyl)-3-methylpyrazol-4-amine
CID 165480695
1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazol-4-amine
CID 165472982
3-(4-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropanenitrile
CID 90104790
1-[(1-ethyltriazol-4-yl)methyl]-3-methylpyrazol-4-amine
CID 165472533
3-methyl-1-(thiadiazol-4-ylmethyl)pyrazol-4-amine
CID 165472870
3-[2-(4-amino-3-methylpyrazol-1-yl)ethyl]-1,3-oxazolidin-2-one
CID 165479404
1-[3-(2,2-dimethylcyclopropyl)propyl]pyrazol-4-amine
CID 165481618
ethyl 3-(4-amino-3-methylpyrazol-1-yl)-2-hydroxypropanoate
CID 165472981
1-[(5-chloro-2-pyridinyl)methyl]-3-methylpyrazol-4-amine
CID 165471981
3-[1-[(2,2-dimethylcyclopropyl)methyl]tetrazol-5-yl]aniline
CID 114109267

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethylcyclopropyl)methyl]-3-methylpyrazol-4-amine?
The IUPAC name of 1-[(2,2-dimethylcyclopropyl)methyl]-3-methylpyrazol-4-amine (CID 165472336) is 1-[(2,2-dimethylcyclopropyl)methyl]-3-methylpyrazol-4-amine.
What is the SMILES notation for 1-[(2,2-dimethylcyclopropyl)methyl]-3-methylpyrazol-4-amine?
The canonical SMILES for 1-[(2,2-dimethylcyclopropyl)methyl]-3-methylpyrazol-4-amine is Cc1nn(CC2CC2(C)C)cc1N.
What is the InChIKey of 1-[(2,2-dimethylcyclopropyl)methyl]-3-methylpyrazol-4-amine?
The InChIKey is SFEHCPWVYMXPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7-9(11)6-13(12-7)5-8-4-10(8,2)3/h6,8H,4-5,11H2,1-3H3.
What are the key properties of 1-[(2,2-dimethylcyclopropyl)methyl]-3-methylpyrazol-4-amine?
1-[(2,2-dimethylcyclopropyl)methyl]-3-methylpyrazol-4-amine has a molecular weight of 179.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethylcyclopropyl)methyl]-3-methylpyrazol-4-amine is sourced from PubChem (CID 165472336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).