N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine

C14H23N5 — CID 64801531

IUPACN-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccnn1Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H23N5/c1-4-7-15-10-14-5-8-16-19(14)11-13-6-9-18(17-13)12(2)3/h5-6,8-9,12,15H,4,7,10-11H2,1-3H3
InChIKeyBIIUWHRXCAXNBH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.21
Rot. Bonds7

About N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine

N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine (PubChem CID 64801531) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
PubChem CID64801531
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccnn1Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H23N5/c1-4-7-15-10-14-5-8-16-19(14)11-13-6-9-18(17-13)12(2)3/h5-6,8-9,12,15H,4,7,10-11H2,1-3H3
InChIKeyBIIUWHRXCAXNBH-UHFFFAOYSA-N
XLogP2.21
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126964762
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 122167384
N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66191986
N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
CID 107054678
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-methylpyrazol-4-yl]methyl]propan-1-amine
CID 64778333
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626945
1-(1-methylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625389
3-iodo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
CID 114503659
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719105
N-[(2-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine;hydrochloride
CID 126967489
1-(1-ethylpyrazol-3-yl)-N-[(2-ethylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965982
N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64771079

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine (CID 64801531) is N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine is CCCNCc1ccnn1Cc1ccn(C(C)C)n1.
What is the InChIKey of N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine?
The InChIKey is BIIUWHRXCAXNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-4-7-15-10-14-5-8-16-19(14)11-13-6-9-18(17-13)12(2)3/h5-6,8-9,12,15H,4,7,10-11H2,1-3H3.
What are the key properties of N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine?
N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 64801531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).