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

C8H11N5 — CID 62748699

IUPACN-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-pyrazol-4-amine
SMILESCc1[nH]cnc1CNc1cn[nH]c1
InChIInChI=1S/C8H11N5/c1-6-8(11-5-10-6)4-9-7-2-12-13-3-7/h2-3,5,9H,4H2,1H3,(H,10,11)(H,12,13)
InChIKeyHMFDWEXKDCVNIZ-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.05
Rot. Bonds3

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

N-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-pyrazol-4-amine (PubChem CID 62748699) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-pyrazol-4-amine
PubChem CID62748699
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-pyrazol-4-amine
SMILESCc1[nH]cnc1CNc1cn[nH]c1
InChIInChI=1S/C8H11N5/c1-6-8(11-5-10-6)4-9-7-2-12-13-3-7/h2-3,5,9H,4H2,1H3,(H,10,11)(H,12,13)
InChIKeyHMFDWEXKDCVNIZ-UHFFFAOYSA-N
XLogP1.05
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidin-5-amine
CID 107587844
4-(difluoromethoxy)-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 62746905
2,3,4,5,6-pentafluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 115564140
2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-2-ol
CID 65102733
3-fluoro-5-methoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 114262750
4-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
CID 62747967
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-amine
CID 43539826
methyl 2-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]phenoxy]acetate
CID 62748889
4-ethoxy-3-fluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 113399717
methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]boronamidic acid
CID 20634568
N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-6-amine
CID 62743051
N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine
CID 46784144

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-pyrazol-4-amine (CID 62748699) is N-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-pyrazol-4-amine is Cc1[nH]cnc1CNc1cn[nH]c1.
What is the InChIKey of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-pyrazol-4-amine?
The InChIKey is HMFDWEXKDCVNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-6-8(11-5-10-6)4-9-7-2-12-13-3-7/h2-3,5,9H,4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-pyrazol-4-amine?
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-pyrazol-4-amine has a molecular weight of 177.21 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 62748699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).