4,4-dimethyl-N-pyrrolidin-3-yl-1H-chromeno[3,4-d]pyrazol-3-amine

C16H20N4O — CID 114697968

IUPAC4,4-dimethyl-N-pyrrolidin-3-yl-1H-chromeno[3,4-d]pyrazol-3-amine
SMILESCC1(C)Oc2ccccc2-c2[nH]nc(NC3CCNC3)c21
InChIInChI=1S/C16H20N4O/c1-16(2)13-14(11-5-3-4-6-12(11)21-16)19-20-15(13)18-10-7-8-17-9-10/h3-6,10,17H,7-9H2,1-2H3,(H2,18,19,20)
InChIKeyUQIGTWAWALSZNR-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.48
Rot. Bonds2

About 4,4-dimethyl-N-pyrrolidin-3-yl-1H-chromeno[3,4-d]pyrazol-3-amine

4,4-dimethyl-N-pyrrolidin-3-yl-1H-chromeno[3,4-d]pyrazol-3-amine (PubChem CID 114697968) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4,4-dimethyl-N-pyrrolidin-3-yl-1H-chromeno[3,4-d]pyrazol-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-pyrrolidin-3-yl-1H-chromeno[3,4-d]pyrazol-3-amine
PubChem CID114697968
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4,4-dimethyl-N-pyrrolidin-3-yl-1H-chromeno[3,4-d]pyrazol-3-amine
SMILESCC1(C)Oc2ccccc2-c2[nH]nc(NC3CCNC3)c21
InChIInChI=1S/C16H20N4O/c1-16(2)13-14(11-5-3-4-6-12(11)21-16)19-20-15(13)18-10-7-8-17-9-10/h3-6,10,17H,7-9H2,1-2H3,(H2,18,19,20)
InChIKeyUQIGTWAWALSZNR-UHFFFAOYSA-N
XLogP2.48
TPSA61.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyrrolidin-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 114697863
7-methyl-N-pyrrolidin-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 114697907
3-fluoro-N-pyrrolidin-3-ylpyridin-2-amine
CID 62732869
5-ethyl-4-methyl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697915
4-(2-fluorophenoxy)-N-pyrrolidin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 141188398
5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114698005
N-(2-methylphenyl)pyrrolidin-3-amine
CID 79725314
5-(furan-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114698002
N-[(3R)-pyrrolidin-3-yl]-6-(trifluoromethyl)pyridin-2-amine
CID 94417648
N-[(3R)-pyrrolidin-3-yl]pyridin-4-amine
CID 89333322
N-(4-methylphenyl)pyrrolidin-3-amine
CID 68925011
5-(2,5-dimethylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697982

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-pyrrolidin-3-yl-1H-chromeno[3,4-d]pyrazol-3-amine?
The IUPAC name of 4,4-dimethyl-N-pyrrolidin-3-yl-1H-chromeno[3,4-d]pyrazol-3-amine (CID 114697968) is 4,4-dimethyl-N-pyrrolidin-3-yl-1H-chromeno[3,4-d]pyrazol-3-amine.
What is the SMILES notation for 4,4-dimethyl-N-pyrrolidin-3-yl-1H-chromeno[3,4-d]pyrazol-3-amine?
The canonical SMILES for 4,4-dimethyl-N-pyrrolidin-3-yl-1H-chromeno[3,4-d]pyrazol-3-amine is CC1(C)Oc2ccccc2-c2[nH]nc(NC3CCNC3)c21.
What is the InChIKey of 4,4-dimethyl-N-pyrrolidin-3-yl-1H-chromeno[3,4-d]pyrazol-3-amine?
The InChIKey is UQIGTWAWALSZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-16(2)13-14(11-5-3-4-6-12(11)21-16)19-20-15(13)18-10-7-8-17-9-10/h3-6,10,17H,7-9H2,1-2H3,(H2,18,19,20).
What are the key properties of 4,4-dimethyl-N-pyrrolidin-3-yl-1H-chromeno[3,4-d]pyrazol-3-amine?
4,4-dimethyl-N-pyrrolidin-3-yl-1H-chromeno[3,4-d]pyrazol-3-amine has a molecular weight of 284.36 g/mol, XLogP of 2.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-pyrrolidin-3-yl-1H-chromeno[3,4-d]pyrazol-3-amine is sourced from PubChem (CID 114697968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).