4-amino-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide;fluoromethane;3-fluoroprop-1-ene;N-prop-2-enylformamide

C18H31F2N5O3 — CID 143263414

IUPAC4-amino-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide;fluoromethane;3-fluoroprop-1-ene;N-prop-2-enylformamide
SMILESC=CCF.C=CCNC=O.CF.Nc1cn[nH]c1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C10H16N4O2.C4H7NO.C3H5F.CH3F/c11-8-5-12-14-9(8)10(16)13-6-1-3-7(15)4-2-6;1-2-3-5-4-6;1-2-3-4;1-2/h5-7,15H,1-4,11H2,(H,12,14)(H,13,16);2,4H,1,3H2,(H,5,6);2H,1,3H2;1H3
InChIKeyBQAJASAHQKJQEV-UHFFFAOYSA-N
MW403.47 g/mol
LogP1.67
Rot. Bonds6

About 4-amino-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide;fluoromethane;3-fluoroprop-1-ene;N-prop-2-enylformamide

4-amino-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide;fluoromethane;3-fluoroprop-1-ene;N-prop-2-enylformamide (PubChem CID 143263414) has the molecular formula C18H31F2N5O3 and a molecular weight of 403.47 g/mol. Its IUPAC name is 4-amino-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide;fluoromethane;3-fluoroprop-1-ene;N-prop-2-enylformamide.

Molecular Properties

Compound Name4-amino-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide;fluoromethane;3-fluoroprop-1-ene;N-prop-2-enylformamide
PubChem CID143263414
Molecular FormulaC18H31F2N5O3
Molecular Weight403.47 g/mol
Exact Mass403.24
IUPAC Name4-amino-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide;fluoromethane;3-fluoroprop-1-ene;N-prop-2-enylformamide
SMILESC=CCF.C=CCNC=O.CF.Nc1cn[nH]c1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C10H16N4O2.C4H7NO.C3H5F.CH3F/c11-8-5-12-14-9(8)10(16)13-6-1-3-7(15)4-2-6;1-2-3-5-4-6;1-2-3-4;1-2/h5-7,15H,1-4,11H2,(H,12,14)(H,13,16);2,4H,1,3H2,(H,5,6);2H,1,3H2;1H3
InChIKeyBQAJASAHQKJQEV-UHFFFAOYSA-N
XLogP1.67
TPSA133.13 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 51.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide;fluoromethane;3-fluoroprop-1-ene;N-prop-2-enylformamide?
The IUPAC name of 4-amino-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide;fluoromethane;3-fluoroprop-1-ene;N-prop-2-enylformamide (CID 143263414) is 4-amino-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide;fluoromethane;3-fluoroprop-1-ene;N-prop-2-enylformamide.
What is the SMILES notation for 4-amino-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide;fluoromethane;3-fluoroprop-1-ene;N-prop-2-enylformamide?
The canonical SMILES for 4-amino-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide;fluoromethane;3-fluoroprop-1-ene;N-prop-2-enylformamide is C=CCF.C=CCNC=O.CF.Nc1cn[nH]c1C(=O)NC1CCC(O)CC1.
What is the InChIKey of 4-amino-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide;fluoromethane;3-fluoroprop-1-ene;N-prop-2-enylformamide?
The InChIKey is BQAJASAHQKJQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2.C4H7NO.C3H5F.CH3F/c11-8-5-12-14-9(8)10(16)13-6-1-3-7(15)4-2-6;1-2-3-5-4-6;1-2-3-4;1-2/h5-7,15H,1-4,11H2,(H,12,14)(H,13,16);2,4H,1,3H2,(H,5,6);2H,1,3H2;1H3.
What are the key properties of 4-amino-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide;fluoromethane;3-fluoroprop-1-ene;N-prop-2-enylformamide?
4-amino-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide;fluoromethane;3-fluoroprop-1-ene;N-prop-2-enylformamide has a molecular weight of 403.47 g/mol, XLogP of 1.67, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide;fluoromethane;3-fluoroprop-1-ene;N-prop-2-enylformamide is sourced from PubChem (CID 143263414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).