2-chloro-N-[5-(3,3-difluorocyclopentyl)-1H-pyrazol-3-yl]pyrimidin-4-amine;ethane

C14H18ClF2N5 — CID 154687421

IUPAC2-chloro-N-[5-(3,3-difluorocyclopentyl)-1H-pyrazol-3-yl]pyrimidin-4-amine;ethane
SMILESCC.FC1(F)CCC(c2cc(Nc3ccnc(Cl)n3)n[nH]2)C1
InChIInChI=1S/C12H12ClF2N5.C2H6/c13-11-16-4-2-9(18-11)17-10-5-8(19-20-10)7-1-3-12(14,15)6-7;1-2/h2,4-5,7H,1,3,6H2,(H2,16,17,18,19,20);1-2H3
InChIKeyMAVLZBFCHCQEDX-UHFFFAOYSA-N
MW329.78 g/mol
LogP4.53
Rot. Bonds3

About 2-chloro-N-[5-(3,3-difluorocyclopentyl)-1H-pyrazol-3-yl]pyrimidin-4-amine;ethane

2-chloro-N-[5-(3,3-difluorocyclopentyl)-1H-pyrazol-3-yl]pyrimidin-4-amine;ethane (PubChem CID 154687421) has the molecular formula C14H18ClF2N5 and a molecular weight of 329.78 g/mol. Its IUPAC name is 2-chloro-N-[5-(3,3-difluorocyclopentyl)-1H-pyrazol-3-yl]pyrimidin-4-amine;ethane.

Molecular Properties

Compound Name2-chloro-N-[5-(3,3-difluorocyclopentyl)-1H-pyrazol-3-yl]pyrimidin-4-amine;ethane
PubChem CID154687421
Molecular FormulaC14H18ClF2N5
Molecular Weight329.78 g/mol
Exact Mass329.12
IUPAC Name2-chloro-N-[5-(3,3-difluorocyclopentyl)-1H-pyrazol-3-yl]pyrimidin-4-amine;ethane
SMILESCC.FC1(F)CCC(c2cc(Nc3ccnc(Cl)n3)n[nH]2)C1
InChIInChI=1S/C12H12ClF2N5.C2H6/c13-11-16-4-2-9(18-11)17-10-5-8(19-20-10)7-1-3-12(14,15)6-7;1-2/h2,4-5,7H,1,3,6H2,(H2,16,17,18,19,20);1-2H3
InChIKeyMAVLZBFCHCQEDX-UHFFFAOYSA-N
XLogP4.53
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(5-spiro[2.3]hexan-5-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;ethane
CID 154687300
4-N-[5-[(1S)-2,2-difluorocyclopropyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
CID 162157584
2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine
CID 86047710
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine;ethane;methylcyclohexane
CID 154687415
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-amine
CID 169160107
2-chloro-4-(3,3-difluorocyclobutyl)pyrimidine
CID 150584047
2-[5-(aminomethyl)-3-fluoro-3-methylpiperidin-1-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 169170320
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine;2-methylbutane;molecular hydrogen
CID 169155625
2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 71058238
2-[4-(chloromethyl)-2-azabicyclo[2.1.1]hexan-2-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 169170033
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 170132228
2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine
CID 130556405

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(3,3-difluorocyclopentyl)-1H-pyrazol-3-yl]pyrimidin-4-amine;ethane?
The IUPAC name of 2-chloro-N-[5-(3,3-difluorocyclopentyl)-1H-pyrazol-3-yl]pyrimidin-4-amine;ethane (CID 154687421) is 2-chloro-N-[5-(3,3-difluorocyclopentyl)-1H-pyrazol-3-yl]pyrimidin-4-amine;ethane.
What is the SMILES notation for 2-chloro-N-[5-(3,3-difluorocyclopentyl)-1H-pyrazol-3-yl]pyrimidin-4-amine;ethane?
The canonical SMILES for 2-chloro-N-[5-(3,3-difluorocyclopentyl)-1H-pyrazol-3-yl]pyrimidin-4-amine;ethane is CC.FC1(F)CCC(c2cc(Nc3ccnc(Cl)n3)n[nH]2)C1.
What is the InChIKey of 2-chloro-N-[5-(3,3-difluorocyclopentyl)-1H-pyrazol-3-yl]pyrimidin-4-amine;ethane?
The InChIKey is MAVLZBFCHCQEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2N5.C2H6/c13-11-16-4-2-9(18-11)17-10-5-8(19-20-10)7-1-3-12(14,15)6-7;1-2/h2,4-5,7H,1,3,6H2,(H2,16,17,18,19,20);1-2H3.
What are the key properties of 2-chloro-N-[5-(3,3-difluorocyclopentyl)-1H-pyrazol-3-yl]pyrimidin-4-amine;ethane?
2-chloro-N-[5-(3,3-difluorocyclopentyl)-1H-pyrazol-3-yl]pyrimidin-4-amine;ethane has a molecular weight of 329.78 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(3,3-difluorocyclopentyl)-1H-pyrazol-3-yl]pyrimidin-4-amine;ethane is sourced from PubChem (CID 154687421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).