4-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-5-carboxamide

C14H22N4O — CID 63101774

IUPAC4-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-5-carboxamide
SMILESCC1(C2CCC1(C(C2)NC(=O)C3=C(C=NN3)N)C)C
InChIInChI=1S/C14H22N4O/c1-13(2)8-4-5-14(13,3)10(6-8)17-12(19)11-9(15)7-16-18-11/h7-8,10H,4-6,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyWSMDNMNRDVDDQP-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.70
Rot. Bonds2

About 4-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-5-carboxamide

4-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-5-carboxamide (PubChem CID 63101774) has the molecular formula C14H22N4O and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-5-carboxamide
PubChem CID63101774
Molecular FormulaC14H22N4O
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Name4-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-5-carboxamide
SMILESCC1(C2CCC1(C(C2)NC(=O)C3=C(C=NN3)N)C)C
InChIInChI=1S/C14H22N4O/c1-13(2)8-4-5-14(13,3)10(6-8)17-12(19)11-9(15)7-16-18-11/h7-8,10H,4-6,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyWSMDNMNRDVDDQP-UHFFFAOYSA-N
XLogP2.70
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity397

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-5-carboxamide (CID 63101774) is 4-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-5-carboxamide is CC1(C2CCC1(C(C2)NC(=O)C3=C(C=NN3)N)C)C.
What is the InChIKey of 4-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WSMDNMNRDVDDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-13(2)8-4-5-14(13,3)10(6-8)17-12(19)11-9(15)7-16-18-11/h7-8,10H,4-6,15H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-5-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63101774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).