5-(4-tert-butylcyclohexyl)-4-propyl-1H-pyrazol-3-amine

C16H29N3 — CID 79405605

IUPAC5-(4-tert-butylcyclohexyl)-4-propyl-1H-pyrazol-3-amine
SMILESCCCc1c(N)n[nH]c1C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H29N3/c1-5-6-13-14(18-19-15(13)17)11-7-9-12(10-8-11)16(2,3)4/h11-12H,5-10H2,1-4H3,(H3,17,18,19)
InChIKeyIWWRMQXVVZBBMJ-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.26
Rot. Bonds3

About 5-(4-tert-butylcyclohexyl)-4-propyl-1H-pyrazol-3-amine

5-(4-tert-butylcyclohexyl)-4-propyl-1H-pyrazol-3-amine (PubChem CID 79405605) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 5-(4-tert-butylcyclohexyl)-4-propyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-tert-butylcyclohexyl)-4-propyl-1H-pyrazol-3-amine
PubChem CID79405605
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name5-(4-tert-butylcyclohexyl)-4-propyl-1H-pyrazol-3-amine
SMILESCCCc1c(N)n[nH]c1C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H29N3/c1-5-6-13-14(18-19-15(13)17)11-7-9-12(10-8-11)16(2,3)4/h11-12H,5-10H2,1-4H3,(H3,17,18,19)
InChIKeyIWWRMQXVVZBBMJ-UHFFFAOYSA-N
XLogP4.26
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylcyclohexyl)-4-propyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-tert-butylcyclohexyl)-4-propyl-1H-pyrazol-3-amine (CID 79405605) is 5-(4-tert-butylcyclohexyl)-4-propyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-tert-butylcyclohexyl)-4-propyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-tert-butylcyclohexyl)-4-propyl-1H-pyrazol-3-amine is CCCc1c(N)n[nH]c1C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 5-(4-tert-butylcyclohexyl)-4-propyl-1H-pyrazol-3-amine?
The InChIKey is IWWRMQXVVZBBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-6-13-14(18-19-15(13)17)11-7-9-12(10-8-11)16(2,3)4/h11-12H,5-10H2,1-4H3,(H3,17,18,19).
What are the key properties of 5-(4-tert-butylcyclohexyl)-4-propyl-1H-pyrazol-3-amine?
5-(4-tert-butylcyclohexyl)-4-propyl-1H-pyrazol-3-amine has a molecular weight of 263.43 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylcyclohexyl)-4-propyl-1H-pyrazol-3-amine is sourced from PubChem (CID 79405605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).