N-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride

C13H22ClN5 — CID 126966967

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
SMILESCCCn1ccc(CNCc2cnn(CC)c2)n1.Cl
InChIInChI=1S/C13H21N5.ClH/c1-3-6-18-7-5-13(16-18)10-14-8-12-9-15-17(4-2)11-12;/h5,7,9,11,14H,3-4,6,8,10H2,1-2H3;1H
InChIKeyDCGNYYDYQUCIKX-UHFFFAOYSA-N
MW283.81 g/mol
LogP2.22
Rot. Bonds7

About N-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride

N-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride (PubChem CID 126966967) has the molecular formula C13H22ClN5 and a molecular weight of 283.81 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
PubChem CID126966967
Molecular FormulaC13H22ClN5
Molecular Weight283.81 g/mol
Exact Mass283.16
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
SMILESCCCn1ccc(CNCc2cnn(CC)c2)n1.Cl
InChIInChI=1S/C13H21N5.ClH/c1-3-6-18-7-5-13(16-18)10-14-8-12-9-15-17(4-2)11-12;/h5,7,9,11,14H,3-4,6,8,10H2,1-2H3;1H
InChIKeyDCGNYYDYQUCIKX-UHFFFAOYSA-N
XLogP2.22
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(1-propylpyrazol-3-yl)methanamine
CID 122167663
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
1-(1-ethylpyrazol-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 122166991
1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122166526
2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride
CID 126968063
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126965948
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986
2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126965886
N-methyl-1-(1-propylpyrazol-3-yl)methanamine
CID 19620904
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627439
1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126968095

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride (CID 126966967) is N-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride is CCCn1ccc(CNCc2cnn(CC)c2)n1.Cl.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride?
The InChIKey is DCGNYYDYQUCIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5.ClH/c1-3-6-18-7-5-13(16-18)10-14-8-12-9-15-17(4-2)11-12;/h5,7,9,11,14H,3-4,6,8,10H2,1-2H3;1H.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride?
N-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride has a molecular weight of 283.81 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 126966967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).