2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl carbamate

C8H14N4O2 — CID 83210014

IUPAC2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl carbamate
SMILESCc1[nH]ncc1CNCCOC(N)=O
InChIInChI=1S/C8H14N4O2/c1-6-7(5-11-12-6)4-10-2-3-14-8(9)13/h5,10H,2-4H2,1H3,(H2,9,13)(H,11,12)
InChIKeyCZKWCMGWKXYMSQ-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.10
Rot. Bonds5

About 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl carbamate

2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl carbamate (PubChem CID 83210014) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl carbamate
PubChem CID83210014
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl carbamate
SMILESCc1[nH]ncc1CNCCOC(N)=O
InChIInChI=1S/C8H14N4O2/c1-6-7(5-11-12-6)4-10-2-3-14-8(9)13/h5,10H,2-4H2,1H3,(H2,9,13)(H,11,12)
InChIKeyCZKWCMGWKXYMSQ-UHFFFAOYSA-N
XLogP-0.10
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethoxy]acetamide
CID 106236062
N,N-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide
CID 60925704
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
CID 43663721
2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate
CID 83210925
3-ethenoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43663684
tert-butyl N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245687
3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 63226414
N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine
CID 61004281
N-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 43663761
2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate
CID 83210035
2-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43663455
tert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256000

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl carbamate?
The IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl carbamate (CID 83210014) is 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl carbamate.
What is the SMILES notation for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl carbamate?
The canonical SMILES for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl carbamate is Cc1[nH]ncc1CNCCOC(N)=O.
What is the InChIKey of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl carbamate?
The InChIKey is CZKWCMGWKXYMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-6-7(5-11-12-6)4-10-2-3-14-8(9)13/h5,10H,2-4H2,1H3,(H2,9,13)(H,11,12).
What are the key properties of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl carbamate?
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl carbamate has a molecular weight of 198.23 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl carbamate is sourced from PubChem (CID 83210014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).