1-(2-fluoroethyl)-4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-5-amine

C14H22FN5 — CID 122167597

IUPAC1-(2-fluoroethyl)-4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-5-amine
SMILESCc1cnn(CCF)c1NCc1cnn(CC(C)C)c1
InChIInChI=1S/C14H22FN5/c1-11(2)9-19-10-13(8-17-19)7-16-14-12(3)6-18-20(14)5-4-15/h6,8,10-11,16H,4-5,7,9H2,1-3H3
InChIKeyGEDNQRKBCURVTC-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.63
Rot. Bonds7

About 1-(2-fluoroethyl)-4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-5-amine

1-(2-fluoroethyl)-4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-5-amine (PubChem CID 122167597) has the molecular formula C14H22FN5 and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-5-amine
PubChem CID122167597
Molecular FormulaC14H22FN5
Molecular Weight279.36 g/mol
Exact Mass279.19
IUPAC Name1-(2-fluoroethyl)-4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-5-amine
SMILESCc1cnn(CCF)c1NCc1cnn(CC(C)C)c1
InChIInChI=1S/C14H22FN5/c1-11(2)9-19-10-13(8-17-19)7-16-14-12(3)6-18-20(14)5-4-15/h6,8,10-11,16H,4-5,7,9H2,1-3H3
InChIKeyGEDNQRKBCURVTC-UHFFFAOYSA-N
XLogP2.63
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-5-amine?
The IUPAC name of 1-(2-fluoroethyl)-4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-5-amine (CID 122167597) is 1-(2-fluoroethyl)-4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-5-amine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-5-amine?
The canonical SMILES for 1-(2-fluoroethyl)-4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-5-amine is Cc1cnn(CCF)c1NCc1cnn(CC(C)C)c1.
What is the InChIKey of 1-(2-fluoroethyl)-4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-5-amine?
The InChIKey is GEDNQRKBCURVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5/c1-11(2)9-19-10-13(8-17-19)7-16-14-12(3)6-18-20(14)5-4-15/h6,8,10-11,16H,4-5,7,9H2,1-3H3.
What are the key properties of 1-(2-fluoroethyl)-4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-5-amine?
1-(2-fluoroethyl)-4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-5-amine has a molecular weight of 279.36 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-5-amine is sourced from PubChem (CID 122167597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).