N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine

C14H25N3 — CID 60808983

IUPACN-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine
SMILESCn1ccc(NC2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C14H25N3/c1-14(2,3)11-5-7-12(8-6-11)15-13-9-10-17(4)16-13/h9-12H,5-8H2,1-4H3,(H,15,16)
InChIKeyVQVQPNWNGZYSBV-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.44
Rot. Bonds2

About N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine

N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine (PubChem CID 60808983) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine
PubChem CID60808983
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine
SMILESCn1ccc(NC2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C14H25N3/c1-14(2,3)11-5-7-12(8-6-11)15-13-9-10-17(4)16-13/h9-12H,5-8H2,1-4H3,(H,15,16)
InChIKeyVQVQPNWNGZYSBV-UHFFFAOYSA-N
XLogP3.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-methylpyrazol-3-amine
CID 60810473
N-(cyclopentylmethyl)-1-methylpyrazol-3-amine
CID 62072265
2-[(1-methylpyrazol-3-yl)amino]cyclopentan-1-ol
CID 79778963
tert-butyl (2S,4R)-4-[(1-methylpyrazol-3-yl)amino]-2-phenylpiperidine-1-carboxylate
CID 170560960
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-3-amine
CID 124526704
N-cyclopropyl-3-[(1-methylpyrazol-3-yl)amino]propanamide
CID 79778658
2-[(1-methylpyrazol-3-yl)amino]cyclopentane-1-carbonitrile
CID 79778379
N-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline
CID 135199670
2-methyl-4-[(1-methylpyrazol-3-yl)amino]butan-2-ol
CID 79779568
N-(1-methylpyrazol-3-yl)cyclopropanecarboxamide
CID 19405001
2-[6-[(4-tert-butylcyclohexyl)amino]pyrimidin-4-yl]acetic acid
CID 22097386
4-tert-butyl-N-phenylcycloheptan-1-amine
CID 65090391

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine?
The IUPAC name of N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine (CID 60808983) is N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine is Cn1ccc(NC2CCC(C(C)(C)C)CC2)n1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine?
The InChIKey is VQVQPNWNGZYSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-14(2,3)11-5-7-12(8-6-11)15-13-9-10-17(4)16-13/h9-12H,5-8H2,1-4H3,(H,15,16).
What are the key properties of N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine?
N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine has a molecular weight of 235.37 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 60808983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).