1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride

C12H20ClN5 — CID 126964986

IUPAC1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
SMILESCCCn1cc(CNc2cnn(CC)c2)cn1.Cl
InChIInChI=1S/C12H19N5.ClH/c1-3-5-17-9-11(7-14-17)6-13-12-8-15-16(4-2)10-12;/h7-10,13H,3-6H2,1-2H3;1H
InChIKeyXRDABCXOHRMFAA-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.54
Rot. Bonds6

About 1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride

1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride (PubChem CID 126964986) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
PubChem CID126964986
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
SMILESCCCn1cc(CNc2cnn(CC)c2)cn1.Cl
InChIInChI=1S/C12H19N5.ClH/c1-3-5-17-9-11(7-14-17)6-13-12-8-15-16(4-2)10-12;/h7-10,13H,3-6H2,1-2H3;1H
InChIKeyXRDABCXOHRMFAA-UHFFFAOYSA-N
XLogP2.54
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
CID 126966593
N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline
CID 62127247
1-ethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122167620
1-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126967855
1-(2-fluoroethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126967961
4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol
CID 19627559
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641
2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
CID 126965558
1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride
CID 126964967

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride (CID 126964986) is 1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride is CCCn1cc(CNc2cnn(CC)c2)cn1.Cl.
What is the InChIKey of 1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride?
The InChIKey is XRDABCXOHRMFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5.ClH/c1-3-5-17-9-11(7-14-17)6-13-12-8-15-16(4-2)10-12;/h7-10,13H,3-6H2,1-2H3;1H.
What are the key properties of 1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride?
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride has a molecular weight of 269.78 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126964986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).