N-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride

C14H19ClFN3 — CID 126964491

IUPACN-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
SMILESCCCn1cc(NCc2ccc(F)cc2)c(C)n1.Cl
InChIInChI=1S/C14H18FN3.ClH/c1-3-8-18-10-14(11(2)17-18)16-9-12-4-6-13(15)7-5-12;/h4-7,10,16H,3,8-9H2,1-2H3;1H
InChIKeyDOOXIAUVMLLADE-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.77
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride

N-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride (PubChem CID 126964491) has the molecular formula C14H19ClFN3 and a molecular weight of 283.78 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
PubChem CID126964491
Molecular FormulaC14H19ClFN3
Molecular Weight283.78 g/mol
Exact Mass283.13
IUPAC NameN-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
SMILESCCCn1cc(NCc2ccc(F)cc2)c(C)n1.Cl
InChIInChI=1S/C14H18FN3.ClH/c1-3-8-18-10-14(11(2)17-18)16-9-12-4-6-13(15)7-5-12;/h4-7,10,16H,3,8-9H2,1-2H3;1H
InChIKeyDOOXIAUVMLLADE-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122168316
1-(4-fluorophenyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine
CID 122166228
3-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167638
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122166471
2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
CID 126965311
N-[(3-methoxyphenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126965644
3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
CID 126964358
N-[(1-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126966840
N-benzyl-1-ethyl-3-methylpyrazol-4-amine;hydrochloride
CID 126964772
3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
CID 122167868
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122167189
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122166677

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride (CID 126964491) is N-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride is CCCn1cc(NCc2ccc(F)cc2)c(C)n1.Cl.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride?
The InChIKey is DOOXIAUVMLLADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3.ClH/c1-3-8-18-10-14(11(2)17-18)16-9-12-4-6-13(15)7-5-12;/h4-7,10,16H,3,8-9H2,1-2H3;1H.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride?
N-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride has a molecular weight of 283.78 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126964491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).