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

C14H23ClFN5 — CID 126963874

IUPAC1-(2-fluoroethyl)-5-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
SMILESCc1c(NCc2cnn(CC(C)C)c2)cnn1CCF.Cl
InChIInChI=1S/C14H22FN5.ClH/c1-11(2)9-19-10-13(7-17-19)6-16-14-8-18-20(5-4-15)12(14)3;/h7-8,10-11,16H,4-6,9H2,1-3H3;1H
InChIKeyRYTOWXHIMATCLH-UHFFFAOYSA-N
MW315.82 g/mol
LogP3.05
Rot. Bonds7

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

1-(2-fluoroethyl)-5-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride (PubChem CID 126963874) has the molecular formula C14H23ClFN5 and a molecular weight of 315.82 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-5-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-fluoroethyl)-5-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
PubChem CID126963874
Molecular FormulaC14H23ClFN5
Molecular Weight315.82 g/mol
Exact Mass315.16
IUPAC Name1-(2-fluoroethyl)-5-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
SMILESCc1c(NCc2cnn(CC(C)C)c2)cnn1CCF.Cl
InChIInChI=1S/C14H22FN5.ClH/c1-11(2)9-19-10-13(7-17-19)6-16-14-8-18-20(5-4-15)12(14)3;/h7-8,10-11,16H,4-6,9H2,1-3H3;1H
InChIKeyRYTOWXHIMATCLH-UHFFFAOYSA-N
XLogP3.05
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-fluoroethyl)-5-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride with MolForge

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Related Compounds

1-(2-fluoroethyl)-4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-5-amine
CID 122167597
2-[[[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]amino]methyl]phenol;hydrochloride
CID 126964065
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126965366
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 122167670
1-(2-fluoroethyl)-5-methyl-N-pentylpyrazol-4-amine;hydrochloride
CID 126965034
4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1-propan-2-ylpyrazol-3-amine
CID 122167592
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
CID 126965744
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine
CID 122167702
[1-(2-methylpropyl)pyrazol-4-yl]methanol
CID 62729998
1-(2-fluoroethyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride
CID 126968159
N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyridin-2-amine
CID 95732873
1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine
CID 122168358

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-5-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-(2-fluoroethyl)-5-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride (CID 126963874) is 1-(2-fluoroethyl)-5-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-fluoroethyl)-5-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-(2-fluoroethyl)-5-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride is Cc1c(NCc2cnn(CC(C)C)c2)cnn1CCF.Cl.
What is the InChIKey of 1-(2-fluoroethyl)-5-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride?
The InChIKey is RYTOWXHIMATCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5.ClH/c1-11(2)9-19-10-13(7-17-19)6-16-14-8-18-20(5-4-15)12(14)3;/h7-8,10-11,16H,4-6,9H2,1-3H3;1H.
What are the key properties of 1-(2-fluoroethyl)-5-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride?
1-(2-fluoroethyl)-5-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride has a molecular weight of 315.82 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-5-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126963874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).