N-[(5-amino-1H-pyrazol-4-yl)methyl]pyridin-4-amine

C9H11N5 — CID 79529420

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]pyridin-4-amine
SMILESNc1[nH]ncc1CNc1ccncc1
InChIInChI=1S/C9H11N5/c10-9-7(6-13-14-9)5-12-8-1-3-11-4-2-8/h1-4,6H,5H2,(H,11,12)(H3,10,13,14)
InChIKeySBKHUEVZIDMRQF-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.00
Rot. Bonds3

About N-[(5-amino-1H-pyrazol-4-yl)methyl]pyridin-4-amine

N-[(5-amino-1H-pyrazol-4-yl)methyl]pyridin-4-amine (PubChem CID 79529420) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]pyridin-4-amine
PubChem CID79529420
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]pyridin-4-amine
SMILESNc1[nH]ncc1CNc1ccncc1
InChIInChI=1S/C9H11N5/c10-9-7(6-13-14-9)5-12-8-1-3-11-4-2-8/h1-4,6H,5H2,(H,11,12)(H3,10,13,14)
InChIKeySBKHUEVZIDMRQF-UHFFFAOYSA-N
XLogP1.00
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
1-N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-nitrobenzene-1,3-diamine
CID 106749920
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204731
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43663437
4-[(4-methyl-3-nitroanilino)methyl]-1H-pyrazol-5-amine
CID 79530019
N-[(5-amino-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104732720
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
CID 79529546
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43756710
4-[[4-nitro-3-(trifluoromethyl)anilino]methyl]-1H-pyrazol-5-amine
CID 79530445
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine
CID 112676213
3-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-4-amine
CID 79839401
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 79529836

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]pyridin-4-amine?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]pyridin-4-amine (CID 79529420) is N-[(5-amino-1H-pyrazol-4-yl)methyl]pyridin-4-amine.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]pyridin-4-amine?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]pyridin-4-amine is Nc1[nH]ncc1CNc1ccncc1.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]pyridin-4-amine?
The InChIKey is SBKHUEVZIDMRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c10-9-7(6-13-14-9)5-12-8-1-3-11-4-2-8/h1-4,6H,5H2,(H,11,12)(H3,10,13,14).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]pyridin-4-amine?
N-[(5-amino-1H-pyrazol-4-yl)methyl]pyridin-4-amine has a molecular weight of 189.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 79529420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).