N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-propan-2-ylpiperidin-4-amine

C20H28F2N4 — CID 45250010

IUPACN-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-propan-2-ylpiperidin-4-amine
SMILESCc1c(C(C)NC2CCN(C(C)C)CC2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C20H28F2N4/c1-13(2)25-9-7-17(8-10-25)24-14(3)18-12-23-26(15(18)4)20-6-5-16(21)11-19(20)22/h5-6,11-14,17,24H,7-10H2,1-4H3
InChIKeySSEZWWQLAFCTRG-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.98
Rot. Bonds5

About N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-propan-2-ylpiperidin-4-amine

N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 45250010) has the molecular formula C20H28F2N4 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID45250010
Molecular FormulaC20H28F2N4
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC NameN-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-propan-2-ylpiperidin-4-amine
SMILESCc1c(C(C)NC2CCN(C(C)C)CC2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C20H28F2N4/c1-13(2)25-9-7-17(8-10-25)24-14(3)18-12-23-26(15(18)4)20-6-5-16(21)11-19(20)22/h5-6,11-14,17,24H,7-10H2,1-4H3
InChIKeySSEZWWQLAFCTRG-UHFFFAOYSA-N
XLogP3.98
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-propan-2-ylpiperidin-4-amine (CID 45250010) is N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-propan-2-ylpiperidin-4-amine is Cc1c(C(C)NC2CCN(C(C)C)CC2)cnn1-c1ccc(F)cc1F.
What is the InChIKey of N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is SSEZWWQLAFCTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N4/c1-13(2)25-9-7-17(8-10-25)24-14(3)18-12-23-26(15(18)4)20-6-5-16(21)11-19(20)22/h5-6,11-14,17,24H,7-10H2,1-4H3.
What are the key properties of N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-propan-2-ylpiperidin-4-amine?
N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 362.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 45250010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).