N,N-ditert-butylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride

C14H23ClN4 — CID 141120800

IUPACN,N-ditert-butylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride
SMILESCC(C)(C)N(c1cnn2cccnc12)C(C)(C)C.Cl
InChIInChI=1S/C14H22N4.ClH/c1-13(2,3)18(14(4,5)6)11-10-16-17-9-7-8-15-12(11)17;/h7-10H,1-6H3;1H
InChIKeyCKSNYBKYRCXJPK-UHFFFAOYSA-N
MW282.82 g/mol
LogP3.55
Rot. Bonds1

About N,N-ditert-butylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride

N,N-ditert-butylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride (PubChem CID 141120800) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is N,N-ditert-butylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN,N-ditert-butylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride
PubChem CID141120800
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC NameN,N-ditert-butylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride
SMILESCC(C)(C)N(c1cnn2cccnc12)C(C)(C)C.Cl
InChIInChI=1S/C14H22N4.ClH/c1-13(2,3)18(14(4,5)6)11-10-16-17-9-7-8-15-12(11)17;/h7-10H,1-6H3;1H
InChIKeyCKSNYBKYRCXJPK-UHFFFAOYSA-N
XLogP3.55
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-ditert-butylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride 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

N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 150445744
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
N-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylmethanamine
CID 83873099
pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 819275
2-pyrazolo[1,5-a]pyrimidin-3-ylacetaldehyde
CID 83872984
3-methyltriazolo[1,5-a]pyrimidine
CID 134553106
3-(4-bromobut-1-ynyl)pyrazolo[1,5-a]pyrimidine
CID 170466242
3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 71150900
N-(dimethylaminomethylidene)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 54497154
N-(2-methylpropanoyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 121418872
2,3-ditert-butylpyrazolo[1,5-a]pyrimidine
CID 71288912
6-bromo-4-methyl-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide
CID 166424787

Frequently Asked Questions

What is the IUPAC name of N,N-ditert-butylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride?
The IUPAC name of N,N-ditert-butylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride (CID 141120800) is N,N-ditert-butylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride.
What is the SMILES notation for N,N-ditert-butylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride?
The canonical SMILES for N,N-ditert-butylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride is CC(C)(C)N(c1cnn2cccnc12)C(C)(C)C.Cl.
What is the InChIKey of N,N-ditert-butylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride?
The InChIKey is CKSNYBKYRCXJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4.ClH/c1-13(2,3)18(14(4,5)6)11-10-16-17-9-7-8-15-12(11)17;/h7-10H,1-6H3;1H.
What are the key properties of N,N-ditert-butylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride?
N,N-ditert-butylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride has a molecular weight of 282.82 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-ditert-butylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride is sourced from PubChem (CID 141120800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).