N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine

C14H23N5 — CID 102803704

IUPACN-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine
SMILESCCCn1nccc1C(NCC)c1cn(C)nc1C
InChIInChI=1S/C14H23N5/c1-5-9-19-13(7-8-16-19)14(15-6-2)12-10-18(4)17-11(12)3/h7-8,10,14-15H,5-6,9H2,1-4H3
InChIKeyDPKAZSGFBCPYNU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.03
Rot. Bonds6

About N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine

N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine (PubChem CID 102803704) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine
PubChem CID102803704
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine
SMILESCCCn1nccc1C(NCC)c1cn(C)nc1C
InChIInChI=1S/C14H23N5/c1-5-9-19-13(7-8-16-19)14(15-6-2)12-10-18(4)17-11(12)3/h7-8,10,14-15H,5-6,9H2,1-4H3
InChIKeyDPKAZSGFBCPYNU-UHFFFAOYSA-N
XLogP2.03
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 102803708
N-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 115857601
N-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 102804517
N-[(2-propylpyrazol-3-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine
CID 103127143
N-[(3-chloro-5-methylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 115857326
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 102803721
N-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
CID 102803050
N-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
CID 102803470
N-[(1,3-dimethylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 102803589
N-[(2,6-dimethyl-3-pyridinyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 105148360
N-[(4,5-dibromothiophen-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 115857741
N-[(5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 102804284

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine (CID 102803704) is N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine is CCCn1nccc1C(NCC)c1cn(C)nc1C.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is DPKAZSGFBCPYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-5-9-19-13(7-8-16-19)14(15-6-2)12-10-18(4)17-11(12)3/h7-8,10,14-15H,5-6,9H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine?
N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 261.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 102803704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).