N-[[3-(3,5-difluorophenyl)-4-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-methoxycyclohexan-1-amine

C19H25F2N3O2 — CID 68685531

IUPACN-[[3-(3,5-difluorophenyl)-4-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-methoxycyclohexan-1-amine
SMILESCOCc1c(-c2cc(F)cc(F)c2)n[nH]c1CNC1CCC(OC)CC1
InChIInChI=1S/C19H25F2N3O2/c1-25-11-17-18(10-22-15-3-5-16(26-2)6-4-15)23-24-19(17)12-7-13(20)9-14(21)8-12/h7-9,15-16,22H,3-6,10-11H2,1-2H3,(H,23,24)
InChIKeyWPZLLSGAAMGGDN-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.55
Rot. Bonds7

About N-[[3-(3,5-difluorophenyl)-4-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-methoxycyclohexan-1-amine

N-[[3-(3,5-difluorophenyl)-4-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-methoxycyclohexan-1-amine (PubChem CID 68685531) has the molecular formula C19H25F2N3O2 and a molecular weight of 365.42 g/mol. Its IUPAC name is N-[[3-(3,5-difluorophenyl)-4-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[[3-(3,5-difluorophenyl)-4-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-methoxycyclohexan-1-amine
PubChem CID68685531
Molecular FormulaC19H25F2N3O2
Molecular Weight365.42 g/mol
Exact Mass365.19
IUPAC NameN-[[3-(3,5-difluorophenyl)-4-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-methoxycyclohexan-1-amine
SMILESCOCc1c(-c2cc(F)cc(F)c2)n[nH]c1CNC1CCC(OC)CC1
InChIInChI=1S/C19H25F2N3O2/c1-25-11-17-18(10-22-15-3-5-16(26-2)6-4-15)23-24-19(17)12-7-13(20)9-14(21)8-12/h7-9,15-16,22H,3-6,10-11H2,1-2H3,(H,23,24)
InChIKeyWPZLLSGAAMGGDN-UHFFFAOYSA-N
XLogP3.55
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-difluorophenyl)-4-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-methoxycyclohexan-1-amine?
The IUPAC name of N-[[3-(3,5-difluorophenyl)-4-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-methoxycyclohexan-1-amine (CID 68685531) is N-[[3-(3,5-difluorophenyl)-4-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-methoxycyclohexan-1-amine.
What is the SMILES notation for N-[[3-(3,5-difluorophenyl)-4-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-methoxycyclohexan-1-amine?
The canonical SMILES for N-[[3-(3,5-difluorophenyl)-4-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-methoxycyclohexan-1-amine is COCc1c(-c2cc(F)cc(F)c2)n[nH]c1CNC1CCC(OC)CC1.
What is the InChIKey of N-[[3-(3,5-difluorophenyl)-4-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-methoxycyclohexan-1-amine?
The InChIKey is WPZLLSGAAMGGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O2/c1-25-11-17-18(10-22-15-3-5-16(26-2)6-4-15)23-24-19(17)12-7-13(20)9-14(21)8-12/h7-9,15-16,22H,3-6,10-11H2,1-2H3,(H,23,24).
What are the key properties of N-[[3-(3,5-difluorophenyl)-4-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-methoxycyclohexan-1-amine?
N-[[3-(3,5-difluorophenyl)-4-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-methoxycyclohexan-1-amine has a molecular weight of 365.42 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-difluorophenyl)-4-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-methoxycyclohexan-1-amine is sourced from PubChem (CID 68685531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).