1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine

C8H11N5 — CID 61285482

IUPAC1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESc1cc(CNCc2ccn[nH]2)[nH]n1
InChIInChI=1S/C8H11N5/c1-3-10-12-7(1)5-9-6-8-2-4-11-13-8/h1-4,9H,5-6H2,(H,10,12)(H,11,13)
InChIKeyYLBMULIIVQQLMY-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.42
Rot. Bonds4

About 1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine

1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine (PubChem CID 61285482) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
PubChem CID61285482
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESc1cc(CNCc2ccn[nH]2)[nH]n1
InChIInChI=1S/C8H11N5/c1-3-10-12-7(1)5-9-6-8-2-4-11-13-8/h1-4,9H,5-6H2,(H,10,12)(H,11,13)
InChIKeyYLBMULIIVQQLMY-UHFFFAOYSA-N
XLogP0.42
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-pyrazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60979310
1-(2-bromophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61286252
1-(1H-pyrazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61286025
1-(furan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 63001149
1-(2-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 43662344
2-methyl-N-(1H-pyrazol-5-ylmethyl)prop-2-en-1-amine
CID 114615875
N-[(5-iodofuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
CID 61283329
1-naphthalen-2-yl-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285657
1-[2-(methoxymethyl)phenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 54861685
[3-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methanol;hydrochloride
CID 115615868
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
CID 61282805
N-ethyl-N-[[4-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 43662461

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine (CID 61285482) is 1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine is c1cc(CNCc2ccn[nH]2)[nH]n1.
What is the InChIKey of 1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
The InChIKey is YLBMULIIVQQLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-3-10-12-7(1)5-9-6-8-2-4-11-13-8/h1-4,9H,5-6H2,(H,10,12)(H,11,13).
What are the key properties of 1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine has a molecular weight of 177.21 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine is sourced from PubChem (CID 61285482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).