cis-(1S,3R)-N-[[4-chloro-5-(3,5-difluorophenyl)-1-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine

C16H17ClF3N3 — CID 45267505

IUPACcis-(1S,3R)-N-[[4-chloro-5-(3,5-difluorophenyl)-1-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine
SMILESCn1nc(CN[C@H]2CC[C@@H](F)C2)c(Cl)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C16H17ClF3N3/c1-23-16(9-4-11(19)6-12(20)5-9)15(17)14(22-23)8-21-13-3-2-10(18)7-13/h4-6,10,13,21H,2-3,7-8H2,1H3/t10-,13+/m1/s1
InChIKeyOFBXDLVRMTULIV-MFKMUULPSA-N
MW343.78 g/mol
LogP4.00
Rot. Bonds4

About cis-(1S,3R)-N-[[4-chloro-5-(3,5-difluorophenyl)-1-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine

cis-(1S,3R)-N-[[4-chloro-5-(3,5-difluorophenyl)-1-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine (PubChem CID 45267505) has the molecular formula C16H17ClF3N3 and a molecular weight of 343.78 g/mol. Its IUPAC name is cis-(1S,3R)-N-[[4-chloro-5-(3,5-difluorophenyl)-1-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-N-[[4-chloro-5-(3,5-difluorophenyl)-1-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine
PubChem CID45267505
Molecular FormulaC16H17ClF3N3
Molecular Weight343.78 g/mol
Exact Mass343.11
IUPAC Namecis-(1S,3R)-N-[[4-chloro-5-(3,5-difluorophenyl)-1-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine
SMILESCn1nc(CN[C@H]2CC[C@@H](F)C2)c(Cl)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C16H17ClF3N3/c1-23-16(9-4-11(19)6-12(20)5-9)15(17)14(22-23)8-21-13-3-2-10(18)7-13/h4-6,10,13,21H,2-3,7-8H2,1H3/t10-,13+/m1/s1
InChIKeyOFBXDLVRMTULIV-MFKMUULPSA-N
XLogP4.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.78
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-[[4-chloro-5-(3,5-difluorophenyl)-1-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-N-[[4-chloro-5-(3,5-difluorophenyl)-1-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine (CID 45267505) is cis-(1S,3R)-N-[[4-chloro-5-(3,5-difluorophenyl)-1-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-N-[[4-chloro-5-(3,5-difluorophenyl)-1-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-N-[[4-chloro-5-(3,5-difluorophenyl)-1-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine is Cn1nc(CN[C@H]2CC[C@@H](F)C2)c(Cl)c1-c1cc(F)cc(F)c1.
What is the InChIKey of cis-(1S,3R)-N-[[4-chloro-5-(3,5-difluorophenyl)-1-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine?
The InChIKey is OFBXDLVRMTULIV-MFKMUULPSA-N. The full InChI is InChI=1S/C16H17ClF3N3/c1-23-16(9-4-11(19)6-12(20)5-9)15(17)14(22-23)8-21-13-3-2-10(18)7-13/h4-6,10,13,21H,2-3,7-8H2,1H3/t10-,13+/m1/s1.
What are the key properties of cis-(1S,3R)-N-[[4-chloro-5-(3,5-difluorophenyl)-1-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine?
cis-(1S,3R)-N-[[4-chloro-5-(3,5-difluorophenyl)-1-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine has a molecular weight of 343.78 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-[[4-chloro-5-(3,5-difluorophenyl)-1-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine is sourced from PubChem (CID 45267505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).