N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

C13H23N3 — CID 79353437

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCc1[nH]ncc1CNCC1C(C)(C)C1(C)C
InChIInChI=1S/C13H23N3/c1-9-10(7-15-16-9)6-14-8-11-12(2,3)13(11,4)5/h7,11,14H,6,8H2,1-5H3,(H,15,16)
InChIKeyQKJIPTDTMUHDJA-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.49
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 79353437) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID79353437
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCc1[nH]ncc1CNCC1C(C)(C)C1(C)C
InChIInChI=1S/C13H23N3/c1-9-10(7-15-16-9)6-14-8-11-12(2,3)13(11,4)5/h7,11,14H,6,8H2,1-5H3,(H,15,16)
InChIKeyQKJIPTDTMUHDJA-UHFFFAOYSA-N
XLogP2.49
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 129001468
N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine
CID 61004281
1-(1,4-dimethylpiperazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 63897981
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
CID 43663721
3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 103622795
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62095591
1-(1-ethylpyrrolidin-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60857021
4-methyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 65115239
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923072
5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide
CID 79350868
5,5,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine
CID 115491490
3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 63226414

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 79353437) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is Cc1[nH]ncc1CNCC1C(C)(C)C1(C)C.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is QKJIPTDTMUHDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9-10(7-15-16-9)6-14-8-11-12(2,3)13(11,4)5/h7,11,14H,6,8H2,1-5H3,(H,15,16).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 221.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 79353437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).