2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-3-yl]methyl]propan-2-amine

C14H23N5 — CID 103015778

IUPAC2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-3-yl]methyl]propan-2-amine
SMILESCn1cc(CCn2ccc(CNC(C)(C)C)n2)cn1
InChIInChI=1S/C14H23N5/c1-14(2,3)15-10-13-6-8-19(17-13)7-5-12-9-16-18(4)11-12/h6,8-9,11,15H,5,7,10H2,1-4H3
InChIKeyXGWZURHYBAGRKA-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.75
Rot. Bonds5

About 2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-3-yl]methyl]propan-2-amine

2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-3-yl]methyl]propan-2-amine (PubChem CID 103015778) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-3-yl]methyl]propan-2-amine
PubChem CID103015778
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-3-yl]methyl]propan-2-amine
SMILESCn1cc(CCn2ccc(CNC(C)(C)C)n2)cn1
InChIInChI=1S/C14H23N5/c1-14(2,3)15-10-13-6-8-19(17-13)7-5-12-9-16-18(4)11-12/h6,8-9,11,15H,5,7,10H2,1-4H3
InChIKeyXGWZURHYBAGRKA-UHFFFAOYSA-N
XLogP1.75
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-iodo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole
CID 103019424
N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014439
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 103015801
2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63061350
2-(1-methylpyrazol-3-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 106104866
2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 80689417
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine
CID 103014944
2-methyl-N-[[3-[(1-methylpyrazol-4-yl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 66347148
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719484
3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682189
2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-2-amine
CID 103014471
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol
CID 103014205

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-3-yl]methyl]propan-2-amine (CID 103015778) is 2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-3-yl]methyl]propan-2-amine is Cn1cc(CCn2ccc(CNC(C)(C)C)n2)cn1.
What is the InChIKey of 2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-3-yl]methyl]propan-2-amine?
The InChIKey is XGWZURHYBAGRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-14(2,3)15-10-13-6-8-19(17-13)7-5-12-9-16-18(4)11-12/h6,8-9,11,15H,5,7,10H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-3-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-3-yl]methyl]propan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 103015778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).