N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-propyl-1H-pyrazol-5-yl)methanamine

C13H21N5 — CID 50975125

IUPACN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-propyl-1H-pyrazol-5-yl)methanamine
SMILESCCCc1cc(CN(C)Cc2nc[nH]c2C)[nH]n1
InChIInChI=1S/C13H21N5/c1-4-5-11-6-12(17-16-11)7-18(3)8-13-10(2)14-9-15-13/h6,9H,4-5,7-8H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyYCTLBNXGQNMAGJ-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.03
Rot. Bonds6

About N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-propyl-1H-pyrazol-5-yl)methanamine

N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-propyl-1H-pyrazol-5-yl)methanamine (PubChem CID 50975125) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-propyl-1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-propyl-1H-pyrazol-5-yl)methanamine
PubChem CID50975125
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-propyl-1H-pyrazol-5-yl)methanamine
SMILESCCCc1cc(CN(C)Cc2nc[nH]c2C)[nH]n1
InChIInChI=1S/C13H21N5/c1-4-5-11-6-12(17-16-11)7-18(3)8-13-10(2)14-9-15-13/h6,9H,4-5,7-8H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyYCTLBNXGQNMAGJ-UHFFFAOYSA-N
XLogP2.03
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(oxan-3-yl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine
CID 91842915
N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 135100162
N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]methanamine
CID 77091777
N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
CID 135087538
5-(chloromethyl)-3-propyl-1H-pyrazole
CID 103027301
3-[[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172657321
N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 71930586
N,3,3-trimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]cyclopentan-1-amine
CID 146046168
3-[6-[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91778387
4-heptyl-5-methyl-1H-imidazole
CID 89069470
N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(2-phenylethyl)propan-1-amine
CID 131949926
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(3-propyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902804

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-propyl-1H-pyrazol-5-yl)methanamine?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-propyl-1H-pyrazol-5-yl)methanamine (CID 50975125) is N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-propyl-1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-propyl-1H-pyrazol-5-yl)methanamine?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-propyl-1H-pyrazol-5-yl)methanamine is CCCc1cc(CN(C)Cc2nc[nH]c2C)[nH]n1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-propyl-1H-pyrazol-5-yl)methanamine?
The InChIKey is YCTLBNXGQNMAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-4-5-11-6-12(17-16-11)7-18(3)8-13-10(2)14-9-15-13/h6,9H,4-5,7-8H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-propyl-1H-pyrazol-5-yl)methanamine?
N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-propyl-1H-pyrazol-5-yl)methanamine has a molecular weight of 247.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-propyl-1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 50975125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).