1-[4-(3-aminopropoxymethyl)cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine

C14H24F2N4O — CID 146598354

IUPAC1-[4-(3-aminopropoxymethyl)cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine
SMILESNCCCOCC1CCC(n2cc(N)c(C(F)F)n2)CC1
InChIInChI=1S/C14H24F2N4O/c15-14(16)13-12(18)8-20(19-13)11-4-2-10(3-5-11)9-21-7-1-6-17/h8,10-11,14H,1-7,9,17-18H2
InChIKeySYHAHKDHHHFGKU-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.50
Rot. Bonds7

About 1-[4-(3-aminopropoxymethyl)cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine

1-[4-(3-aminopropoxymethyl)cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine (PubChem CID 146598354) has the molecular formula C14H24F2N4O and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[4-(3-aminopropoxymethyl)cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-[4-(3-aminopropoxymethyl)cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine
PubChem CID146598354
Molecular FormulaC14H24F2N4O
Molecular Weight302.37 g/mol
Exact Mass302.19
IUPAC Name1-[4-(3-aminopropoxymethyl)cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine
SMILESNCCCOCC1CCC(n2cc(N)c(C(F)F)n2)CC1
InChIInChI=1S/C14H24F2N4O/c15-14(16)13-12(18)8-20(19-13)11-4-2-10(3-5-11)9-21-7-1-6-17/h8,10-11,14H,1-7,9,17-18H2
InChIKeySYHAHKDHHHFGKU-UHFFFAOYSA-N
XLogP2.50
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(Difluoromethyl)-1-(oxan-2-yl)pyrazol-4-amine
CID 122673375
Methyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
CID 146598521
2-[[4-[3-(Difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methoxy]ethanamine
CID 146598529
Cyclohexanemethanol, 4-[4-amino-3-(difluoromethyl)-1H-pyrazol-1-yl]-, trans-
CID 146598754
[4-[4-Amino-5-(difluoromethyl)pyrazol-1-yl]cyclohexyl]methanol
CID 146598755
[4-[3-(Difluoromethyl)-4-(methylamino)pyrazol-1-yl]cyclohexyl]methanol
CID 146598787
tert-butyl N-[3-(difluoromethyl)-1-[4-(prop-2-ynoxymethyl)cyclohexyl]pyrazol-4-yl]carbamate
CID 146598797
3-(Difluoromethyl)-4-nitro-1-[4-(pent-4-ynoxymethyl)cyclohexyl]pyrazole
CID 146598809
2-[4-[4-Amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol
CID 146598814
3-(Difluoromethyl)-1-[4-(piperidin-4-yloxymethyl)cyclohexyl]pyrazol-4-amine
CID 146598858
Ethyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
CID 146598928
1-[4-[3-(3-Aminopropoxy)propoxymethyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine
CID 146599036

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopropoxymethyl)cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-[4-(3-aminopropoxymethyl)cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine (CID 146598354) is 1-[4-(3-aminopropoxymethyl)cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-[4-(3-aminopropoxymethyl)cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-[4-(3-aminopropoxymethyl)cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine is NCCCOCC1CCC(n2cc(N)c(C(F)F)n2)CC1.
What is the InChIKey of 1-[4-(3-aminopropoxymethyl)cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine?
The InChIKey is SYHAHKDHHHFGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N4O/c15-14(16)13-12(18)8-20(19-13)11-4-2-10(3-5-11)9-21-7-1-6-17/h8,10-11,14H,1-7,9,17-18H2.
What are the key properties of 1-[4-(3-aminopropoxymethyl)cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine?
1-[4-(3-aminopropoxymethyl)cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine has a molecular weight of 302.37 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopropoxymethyl)cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 146598354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).