N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine;hydrochloride

C14H24ClN5 — CID 126965532

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine;hydrochloride
SMILESCCCn1nccc1CNCc1cn(CC)nc1C.Cl
InChIInChI=1S/C14H23N5.ClH/c1-4-8-19-14(6-7-16-19)10-15-9-13-11-18(5-2)17-12(13)3;/h6-7,11,15H,4-5,8-10H2,1-3H3;1H
InChIKeyMLSRUTUMLYXJCB-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.53
Rot. Bonds7

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine;hydrochloride

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine;hydrochloride (PubChem CID 126965532) has the molecular formula C14H24ClN5 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine;hydrochloride
PubChem CID126965532
Molecular FormulaC14H24ClN5
Molecular Weight297.83 g/mol
Exact Mass297.17
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine;hydrochloride
SMILESCCCn1nccc1CNCc1cn(CC)nc1C.Cl
InChIInChI=1S/C14H23N5.ClH/c1-4-8-19-14(6-7-16-19)10-15-9-13-11-18(5-2)17-12(13)3;/h6-7,11,15H,4-5,8-10H2,1-3H3;1H
InChIKeyMLSRUTUMLYXJCB-UHFFFAOYSA-N
XLogP2.53
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126965255
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]methanamine
CID 122167258
N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166952
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine
CID 122167165
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126963926
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(3-methyl-1-propylpyrazol-4-yl)methanamine;hydrochloride
CID 126967612
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine
CID 122169172
1-(1-methylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625389
N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122166720
1-[2-(2-fluoroethyl)pyrazol-3-yl]-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine
CID 122167447
N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine;hydrochloride
CID 126963941

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine;hydrochloride?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine;hydrochloride (CID 126965532) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine;hydrochloride is CCCn1nccc1CNCc1cn(CC)nc1C.Cl.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine;hydrochloride?
The InChIKey is MLSRUTUMLYXJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5.ClH/c1-4-8-19-14(6-7-16-19)10-15-9-13-11-18(5-2)17-12(13)3;/h6-7,11,15H,4-5,8-10H2,1-3H3;1H.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine;hydrochloride?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 126965532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).